USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 962 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 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 49 CYS SG : rot 40:sc= -0.91 USER MOD Set 2.2: A 53 HIS : no HE2:sc= -0.496 K(o=-1.4,f=-2.4!) USER MOD Single : A 1 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 1 HIS N :NH3+ -108:sc= 0.084 (180deg=-0.112) USER MOD Single : A 2 SER OG : rot -143:sc= 0.236 USER MOD Single : A 6 SER OG : rot 45:sc= 0.948 USER MOD Single : A 12 ASN : amide:sc= -0.985 K(o=-0.99,f=-4.9!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 166:sc= -0.811 USER MOD Single : A 27 SER OG : rot 38:sc= 0.0973 USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.0603 F(o=-0.67,f=-0.06) USER MOD Single : A 31 THR OG1 : rot 162:sc= 0.464 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 35 SER OG : rot 110:sc= -0.746 USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -0.499 (180deg=-3.3!) USER MOD Single : A 44 ASN : amide:sc= -0.0903 K(o=-0.09,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= 0.3 (180deg=-2.88!) USER MOD Single : A 47 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.586 F(o=-1.6,f=-0.59) USER MOD Single : A 61 HIS : no HD1:sc= 0.00365 X(o=0.0036,f=-0.44) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.0112 (180deg=-0.143) USER MOD Single : A 69 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.6) USER MOD Single : A 73 HIS : no HE2:sc= -3.65! X(o=-3.6!,f=-3.6) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 0.00435 (180deg=-0.684) USER MOD Single : A 84 TYR OH : rot -140:sc= -5.25! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 130:sc= 0.471 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -160:sc= -0.548 USER MOD Single : A 104 LYS NZ :NH3+ -168:sc= -0.121 (180deg=-0.258) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.18) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.447 -20.357 0.170 1.00 0.00 N ATOM 2 CA HIS A 1 3.877 -19.026 0.506 1.00 0.00 C ATOM 3 C HIS A 1 3.413 -18.291 -0.748 1.00 0.00 C ATOM 4 O HIS A 1 3.650 -18.745 -1.867 1.00 0.00 O ATOM 5 CB HIS A 1 4.947 -18.208 1.233 1.00 0.00 C ATOM 6 CG HIS A 1 5.049 -18.519 2.694 1.00 0.00 C ATOM 7 ND1 HIS A 1 5.415 -17.584 3.639 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.830 -19.671 3.372 1.00 0.00 C ATOM 9 CE1 HIS A 1 5.418 -18.147 4.834 1.00 0.00 C ATOM 10 NE2 HIS A 1 5.066 -19.412 4.700 1.00 0.00 N ATOM 0 H1 HIS A 1 3.789 -21.103 0.473 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.595 -20.422 -0.857 1.00 0.00 H new ATOM 0 H3 HIS A 1 5.357 -20.479 0.659 1.00 0.00 H new ATOM 0 HA HIS A 1 3.006 -19.161 1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 1 5.913 -18.390 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 1 4.728 -17.147 1.110 1.00 0.00 H new ATOM 0 HD2 HIS A 1 4.526 -20.617 2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 1 5.666 -17.656 5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.983 -20.088 5.460 1.00 0.00 H new ATOM 21 N SER A 2 2.751 -17.156 -0.552 1.00 0.00 N ATOM 22 CA SER A 2 2.253 -16.359 -1.668 1.00 0.00 C ATOM 23 C SER A 2 2.706 -14.907 -1.547 1.00 0.00 C ATOM 24 O SER A 2 3.086 -14.453 -0.468 1.00 0.00 O ATOM 25 CB SER A 2 0.725 -16.425 -1.725 1.00 0.00 C ATOM 26 OG SER A 2 0.146 -15.864 -0.560 1.00 0.00 O ATOM 0 H SER A 2 2.547 -16.767 0.369 1.00 0.00 H new ATOM 0 HA SER A 2 2.664 -16.772 -2.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.368 -15.891 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.406 -17.462 -1.830 1.00 0.00 H new ATOM 0 HG SER A 2 -0.653 -16.375 -0.313 1.00 0.00 H new ATOM 32 N VAL A 3 2.663 -14.185 -2.662 1.00 0.00 N ATOM 33 CA VAL A 3 3.068 -12.784 -2.682 1.00 0.00 C ATOM 34 C VAL A 3 1.858 -11.867 -2.863 1.00 0.00 C ATOM 35 O VAL A 3 1.172 -11.931 -3.883 1.00 0.00 O ATOM 36 CB VAL A 3 4.080 -12.511 -3.813 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.605 -11.085 -3.730 1.00 0.00 C ATOM 38 CG2 VAL A 3 5.225 -13.511 -3.759 1.00 0.00 C ATOM 0 H VAL A 3 2.352 -14.547 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 3 3.541 -12.574 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 3 3.568 -12.630 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.318 -10.912 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.774 -10.385 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.100 -10.935 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.929 -13.302 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.736 -13.427 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.832 -14.521 -3.873 1.00 0.00 H new ATOM 48 N PRO A 4 1.575 -10.998 -1.874 1.00 0.00 N ATOM 49 CA PRO A 4 0.436 -10.072 -1.939 1.00 0.00 C ATOM 50 C PRO A 4 0.521 -9.135 -3.139 1.00 0.00 C ATOM 51 O PRO A 4 0.977 -7.998 -3.021 1.00 0.00 O ATOM 52 CB PRO A 4 0.537 -9.278 -0.630 1.00 0.00 C ATOM 53 CG PRO A 4 1.363 -10.127 0.273 1.00 0.00 C ATOM 54 CD PRO A 4 2.331 -10.849 -0.618 1.00 0.00 C ATOM 0 HA PRO A 4 -0.510 -10.601 -2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.003 -8.306 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.449 -9.092 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.888 -9.519 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.741 -10.831 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.248 -10.279 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.619 -11.815 -0.203 1.00 0.00 H new ATOM 62 N GLU A 5 0.080 -9.621 -4.296 1.00 0.00 N ATOM 63 CA GLU A 5 0.105 -8.838 -5.517 1.00 0.00 C ATOM 64 C GLU A 5 -1.242 -8.172 -5.774 1.00 0.00 C ATOM 65 O GLU A 5 -1.553 -7.781 -6.899 1.00 0.00 O ATOM 66 CB GLU A 5 0.473 -9.745 -6.678 1.00 0.00 C ATOM 67 CG GLU A 5 1.956 -10.041 -6.743 1.00 0.00 C ATOM 68 CD GLU A 5 2.392 -10.571 -8.094 1.00 0.00 C ATOM 69 OE1 GLU A 5 1.857 -11.615 -8.523 1.00 0.00 O ATOM 70 OE2 GLU A 5 3.269 -9.943 -8.724 1.00 0.00 O ATOM 0 H GLU A 5 -0.301 -10.561 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 5 0.848 -8.048 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.076 -10.682 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.159 -9.278 -7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.513 -9.132 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.210 -10.769 -5.973 1.00 0.00 H new ATOM 77 N SER A 6 -2.031 -8.048 -4.719 1.00 0.00 N ATOM 78 CA SER A 6 -3.349 -7.429 -4.805 1.00 0.00 C ATOM 79 C SER A 6 -3.923 -7.204 -3.410 1.00 0.00 C ATOM 80 O SER A 6 -3.447 -7.787 -2.436 1.00 0.00 O ATOM 81 CB SER A 6 -4.296 -8.304 -5.627 1.00 0.00 C ATOM 82 OG SER A 6 -4.297 -7.916 -6.990 1.00 0.00 O ATOM 0 H SER A 6 -1.781 -8.370 -3.784 1.00 0.00 H new ATOM 0 HA SER A 6 -3.244 -6.464 -5.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.995 -9.348 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.306 -8.230 -5.224 1.00 0.00 H new ATOM 0 HG SER A 6 -3.375 -7.775 -7.291 1.00 0.00 H new ATOM 88 N ILE A 7 -4.945 -6.361 -3.315 1.00 0.00 N ATOM 89 CA ILE A 7 -5.570 -6.075 -2.030 1.00 0.00 C ATOM 90 C ILE A 7 -7.022 -5.639 -2.205 1.00 0.00 C ATOM 91 O ILE A 7 -7.352 -4.463 -2.057 1.00 0.00 O ATOM 92 CB ILE A 7 -4.795 -4.989 -1.256 1.00 0.00 C ATOM 93 CG1 ILE A 7 -5.426 -4.758 0.120 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.753 -3.693 -2.050 1.00 0.00 C ATOM 95 CD1 ILE A 7 -5.458 -5.999 0.985 1.00 0.00 C ATOM 0 H ILE A 7 -5.356 -5.867 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.547 -7.000 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.771 -5.334 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.871 -3.977 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.444 -4.391 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.202 -2.939 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.257 -3.867 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.770 -3.342 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.918 -5.762 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.038 -6.775 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.441 -6.355 1.148 1.00 0.00 H new ATOM 107 N ARG A 8 -7.886 -6.598 -2.517 1.00 0.00 N ATOM 108 CA ARG A 8 -9.303 -6.317 -2.707 1.00 0.00 C ATOM 109 C ARG A 8 -10.003 -6.144 -1.363 1.00 0.00 C ATOM 110 O ARG A 8 -10.260 -7.119 -0.656 1.00 0.00 O ATOM 111 CB ARG A 8 -9.966 -7.443 -3.502 1.00 0.00 C ATOM 112 CG ARG A 8 -9.183 -7.855 -4.739 1.00 0.00 C ATOM 113 CD ARG A 8 -9.543 -9.264 -5.186 1.00 0.00 C ATOM 114 NE ARG A 8 -10.197 -9.272 -6.492 1.00 0.00 N ATOM 115 CZ ARG A 8 -10.323 -10.358 -7.252 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.841 -11.524 -6.840 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.933 -10.278 -8.427 1.00 0.00 N ATOM 0 H ARG A 8 -7.629 -7.577 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.394 -5.387 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.089 -8.311 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.964 -7.126 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.385 -7.153 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.115 -7.801 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.640 -9.873 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.201 -9.722 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.580 -8.394 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.371 -11.591 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.940 -12.353 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.306 -9.385 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.030 -11.110 -9.009 1.00 0.00 H new ATOM 131 N PHE A 9 -10.309 -4.898 -1.015 1.00 0.00 N ATOM 132 CA PHE A 9 -10.978 -4.601 0.246 1.00 0.00 C ATOM 133 C PHE A 9 -12.441 -4.240 0.010 1.00 0.00 C ATOM 134 O PHE A 9 -12.763 -3.104 -0.336 1.00 0.00 O ATOM 135 CB PHE A 9 -10.262 -3.457 0.972 1.00 0.00 C ATOM 136 CG PHE A 9 -9.858 -2.327 0.067 1.00 0.00 C ATOM 137 CD1 PHE A 9 -10.721 -1.270 -0.175 1.00 0.00 C ATOM 138 CD2 PHE A 9 -8.613 -2.323 -0.541 1.00 0.00 C ATOM 139 CE1 PHE A 9 -10.350 -0.231 -1.007 1.00 0.00 C ATOM 140 CE2 PHE A 9 -8.236 -1.287 -1.373 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.106 -0.239 -1.607 1.00 0.00 C ATOM 0 H PHE A 9 -10.105 -4.079 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.940 -5.493 0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.915 -3.069 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.374 -3.851 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.695 -1.258 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.929 -3.140 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.032 0.587 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.262 -1.296 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.814 0.572 -2.258 1.00 0.00 H new ATOM 151 N GLY A 10 -13.323 -5.217 0.196 1.00 0.00 N ATOM 152 CA GLY A 10 -14.741 -4.984 -0.005 1.00 0.00 C ATOM 153 C GLY A 10 -15.095 -4.817 -1.471 1.00 0.00 C ATOM 154 O GLY A 10 -14.439 -5.395 -2.338 1.00 0.00 O ATOM 0 H GLY A 10 -13.081 -6.166 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.306 -5.818 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.041 -4.091 0.543 1.00 0.00 H new ATOM 158 N PRO A 11 -16.132 -4.022 -1.785 1.00 0.00 N ATOM 159 CA PRO A 11 -16.554 -3.789 -3.171 1.00 0.00 C ATOM 160 C PRO A 11 -15.502 -3.031 -3.976 1.00 0.00 C ATOM 161 O PRO A 11 -15.560 -2.986 -5.204 1.00 0.00 O ATOM 162 CB PRO A 11 -17.826 -2.947 -3.025 1.00 0.00 C ATOM 163 CG PRO A 11 -17.709 -2.305 -1.686 1.00 0.00 C ATOM 164 CD PRO A 11 -16.969 -3.286 -0.821 1.00 0.00 C ATOM 0 HA PRO A 11 -16.709 -4.723 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.899 -2.201 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.720 -3.567 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.171 -1.359 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.693 -2.084 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.365 -2.782 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.652 -3.950 -0.291 1.00 0.00 H new ATOM 172 N ASN A 12 -14.540 -2.436 -3.275 1.00 0.00 N ATOM 173 CA ASN A 12 -13.475 -1.681 -3.924 1.00 0.00 C ATOM 174 C ASN A 12 -12.168 -2.466 -3.920 1.00 0.00 C ATOM 175 O ASN A 12 -11.567 -2.680 -2.868 1.00 0.00 O ATOM 176 CB ASN A 12 -13.270 -0.342 -3.214 1.00 0.00 C ATOM 177 CG ASN A 12 -14.218 0.731 -3.712 1.00 0.00 C ATOM 178 OD1 ASN A 12 -15.127 0.458 -4.496 1.00 0.00 O ATOM 179 ND2 ASN A 12 -14.011 1.961 -3.257 1.00 0.00 N ATOM 0 H ASN A 12 -14.477 -2.463 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.771 -1.503 -4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.411 -0.478 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.242 -0.010 -3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.618 2.724 -3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.245 2.143 -2.608 1.00 0.00 H new ATOM 186 N VAL A 13 -11.728 -2.888 -5.101 1.00 0.00 N ATOM 187 CA VAL A 13 -10.486 -3.640 -5.221 1.00 0.00 C ATOM 188 C VAL A 13 -9.338 -2.725 -5.632 1.00 0.00 C ATOM 189 O VAL A 13 -9.554 -1.687 -6.257 1.00 0.00 O ATOM 190 CB VAL A 13 -10.611 -4.791 -6.237 1.00 0.00 C ATOM 191 CG1 VAL A 13 -11.679 -5.781 -5.796 1.00 0.00 C ATOM 192 CG2 VAL A 13 -10.915 -4.253 -7.628 1.00 0.00 C ATOM 0 H VAL A 13 -12.211 -2.723 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.277 -4.067 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.656 -5.315 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.752 -6.587 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.412 -6.196 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.639 -5.271 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.999 -5.083 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.854 -3.700 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.110 -3.590 -7.946 1.00 0.00 H new ATOM 202 N PHE A 14 -8.117 -3.109 -5.274 1.00 0.00 N ATOM 203 CA PHE A 14 -6.945 -2.311 -5.606 1.00 0.00 C ATOM 204 C PHE A 14 -5.845 -3.174 -6.213 1.00 0.00 C ATOM 205 O PHE A 14 -5.360 -4.114 -5.584 1.00 0.00 O ATOM 206 CB PHE A 14 -6.421 -1.600 -4.358 1.00 0.00 C ATOM 207 CG PHE A 14 -5.447 -0.497 -4.658 1.00 0.00 C ATOM 208 CD1 PHE A 14 -4.202 -0.780 -5.195 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.777 0.824 -4.401 1.00 0.00 C ATOM 210 CE1 PHE A 14 -3.304 0.233 -5.472 1.00 0.00 C ATOM 211 CE2 PHE A 14 -4.884 1.842 -4.675 1.00 0.00 C ATOM 212 CZ PHE A 14 -3.646 1.546 -5.211 1.00 0.00 C ATOM 0 H PHE A 14 -7.915 -3.964 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.242 -1.568 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.264 -1.188 -3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.940 -2.331 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.930 -1.805 -5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.744 1.061 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.337 -0.001 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.154 2.868 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.946 2.340 -5.426 1.00 0.00 H new ATOM 222 N TYR A 15 -5.453 -2.842 -7.438 1.00 0.00 N ATOM 223 CA TYR A 15 -4.406 -3.580 -8.131 1.00 0.00 C ATOM 224 C TYR A 15 -3.061 -2.881 -7.967 1.00 0.00 C ATOM 225 O TYR A 15 -2.807 -1.847 -8.585 1.00 0.00 O ATOM 226 CB TYR A 15 -4.746 -3.720 -9.615 1.00 0.00 C ATOM 227 CG TYR A 15 -5.969 -4.570 -9.879 1.00 0.00 C ATOM 228 CD1 TYR A 15 -5.867 -5.950 -9.995 1.00 0.00 C ATOM 229 CD2 TYR A 15 -7.224 -3.990 -10.013 1.00 0.00 C ATOM 230 CE1 TYR A 15 -6.983 -6.729 -10.237 1.00 0.00 C ATOM 231 CE2 TYR A 15 -8.344 -4.762 -10.254 1.00 0.00 C ATOM 232 CZ TYR A 15 -8.218 -6.131 -10.366 1.00 0.00 C ATOM 233 OH TYR A 15 -9.331 -6.903 -10.607 1.00 0.00 O ATOM 0 H TYR A 15 -5.845 -2.066 -7.971 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.339 -4.575 -7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.905 -2.728 -10.038 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.893 -4.155 -10.135 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.901 -6.422 -9.895 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.326 -2.918 -9.927 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.888 -7.801 -10.325 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.313 -4.296 -10.354 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.121 -6.327 -10.670 1.00 0.00 H new ATOM 243 N VAL A 16 -2.208 -3.450 -7.125 1.00 0.00 N ATOM 244 CA VAL A 16 -0.889 -2.885 -6.867 1.00 0.00 C ATOM 245 C VAL A 16 -0.087 -2.704 -8.154 1.00 0.00 C ATOM 246 O VAL A 16 0.855 -1.914 -8.200 1.00 0.00 O ATOM 247 CB VAL A 16 -0.088 -3.771 -5.895 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.609 -3.609 -4.476 1.00 0.00 C ATOM 249 CG2 VAL A 16 -0.148 -5.227 -6.328 1.00 0.00 C ATOM 0 H VAL A 16 -2.407 -4.306 -6.607 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.052 -1.906 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 16 0.954 -3.452 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.032 -4.242 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.511 -2.568 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.659 -3.901 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.424 -5.838 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.185 -5.561 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.275 -5.327 -7.328 1.00 0.00 H new ATOM 259 N LEU A 17 -0.458 -3.441 -9.197 1.00 0.00 N ATOM 260 CA LEU A 17 0.240 -3.355 -10.476 1.00 0.00 C ATOM 261 C LEU A 17 -0.535 -2.510 -11.488 1.00 0.00 C ATOM 262 O LEU A 17 0.010 -2.114 -12.518 1.00 0.00 O ATOM 263 CB LEU A 17 0.477 -4.756 -11.042 1.00 0.00 C ATOM 264 CG LEU A 17 1.802 -5.402 -10.637 1.00 0.00 C ATOM 265 CD1 LEU A 17 2.970 -4.511 -11.031 1.00 0.00 C ATOM 266 CD2 LEU A 17 1.823 -5.681 -9.142 1.00 0.00 C ATOM 0 H LEU A 17 -1.235 -4.102 -9.182 1.00 0.00 H new ATOM 0 HA LEU A 17 1.198 -2.867 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.339 -5.404 -10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.433 -4.704 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 17 1.900 -6.351 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.906 -4.986 -10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.965 -4.360 -12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.878 -3.547 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.773 -6.141 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.704 -4.745 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.007 -6.357 -8.887 1.00 0.00 H new ATOM 278 N LYS A 18 -1.805 -2.241 -11.198 1.00 0.00 N ATOM 279 CA LYS A 18 -2.638 -1.449 -12.098 1.00 0.00 C ATOM 280 C LYS A 18 -2.785 -0.013 -11.601 1.00 0.00 C ATOM 281 O LYS A 18 -2.850 0.924 -12.396 1.00 0.00 O ATOM 282 CB LYS A 18 -4.016 -2.095 -12.246 1.00 0.00 C ATOM 283 CG LYS A 18 -4.530 -2.115 -13.676 1.00 0.00 C ATOM 284 CD LYS A 18 -5.481 -3.277 -13.905 1.00 0.00 C ATOM 285 CE LYS A 18 -6.072 -3.247 -15.305 1.00 0.00 C ATOM 286 NZ LYS A 18 -6.886 -4.460 -15.592 1.00 0.00 N ATOM 0 H LYS A 18 -2.278 -2.558 -10.352 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.147 -1.421 -13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.970 -3.118 -11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.729 -1.558 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.040 -1.177 -13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.689 -2.189 -14.366 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.951 -4.217 -13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.284 -3.241 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.693 -2.358 -15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.268 -3.168 -16.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.271 -4.400 -16.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.288 -5.307 -15.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.669 -4.522 -14.910 1.00 0.00 H new ATOM 300 N LEU A 19 -2.841 0.154 -10.283 1.00 0.00 N ATOM 301 CA LEU A 19 -2.985 1.478 -9.685 1.00 0.00 C ATOM 302 C LEU A 19 -4.341 2.085 -10.035 1.00 0.00 C ATOM 303 O LEU A 19 -4.482 3.305 -10.119 1.00 0.00 O ATOM 304 CB LEU A 19 -1.859 2.404 -10.155 1.00 0.00 C ATOM 305 CG LEU A 19 -0.968 2.958 -9.041 1.00 0.00 C ATOM 306 CD1 LEU A 19 0.263 2.084 -8.860 1.00 0.00 C ATOM 307 CD2 LEU A 19 -0.565 4.394 -9.344 1.00 0.00 C ATOM 0 H LEU A 19 -2.789 -0.610 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.922 1.369 -8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.234 1.860 -10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.300 3.241 -10.697 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.535 2.950 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.885 2.493 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.045 1.072 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.832 2.060 -9.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.068 4.771 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.016 4.427 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.458 5.014 -9.423 1.00 0.00 H new ATOM 319 N THR A 20 -5.335 1.226 -10.238 1.00 0.00 N ATOM 320 CA THR A 20 -6.678 1.679 -10.579 1.00 0.00 C ATOM 321 C THR A 20 -7.728 0.915 -9.779 1.00 0.00 C ATOM 322 O THR A 20 -8.033 -0.239 -10.080 1.00 0.00 O ATOM 323 CB THR A 20 -6.932 1.502 -12.076 1.00 0.00 C ATOM 324 OG1 THR A 20 -5.937 2.165 -12.836 1.00 0.00 O ATOM 325 CG2 THR A 20 -8.278 2.031 -12.522 1.00 0.00 C ATOM 0 H THR A 20 -5.235 0.213 -10.172 1.00 0.00 H new ATOM 0 HA THR A 20 -6.754 2.737 -10.327 1.00 0.00 H new ATOM 0 HB THR A 20 -6.908 0.426 -12.247 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.116 2.039 -13.791 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.394 1.874 -13.594 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.070 1.504 -11.991 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.341 3.097 -12.303 1.00 0.00 H new ATOM 333 N VAL A 21 -8.276 1.566 -8.759 1.00 0.00 N ATOM 334 CA VAL A 21 -9.292 0.947 -7.915 1.00 0.00 C ATOM 335 C VAL A 21 -10.623 0.840 -8.651 1.00 0.00 C ATOM 336 O VAL A 21 -11.199 1.847 -9.062 1.00 0.00 O ATOM 337 CB VAL A 21 -9.503 1.739 -6.610 1.00 0.00 C ATOM 338 CG1 VAL A 21 -10.279 0.907 -5.601 1.00 0.00 C ATOM 339 CG2 VAL A 21 -8.169 2.183 -6.028 1.00 0.00 C ATOM 0 H VAL A 21 -8.034 2.522 -8.496 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.932 -0.052 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.086 2.630 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.419 1.482 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.252 0.645 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.723 -0.003 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.341 2.740 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.556 1.307 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.653 2.820 -6.746 1.00 0.00 H new ATOM 349 N GLU A 22 -11.107 -0.388 -8.814 1.00 0.00 N ATOM 350 CA GLU A 22 -12.371 -0.624 -9.501 1.00 0.00 C ATOM 351 C GLU A 22 -13.552 -0.260 -8.607 1.00 0.00 C ATOM 352 O GLU A 22 -14.075 -1.102 -7.878 1.00 0.00 O ATOM 353 CB GLU A 22 -12.474 -2.087 -9.937 1.00 0.00 C ATOM 354 CG GLU A 22 -12.113 -2.313 -11.396 1.00 0.00 C ATOM 355 CD GLU A 22 -11.991 -3.784 -11.745 1.00 0.00 C ATOM 356 OE1 GLU A 22 -12.564 -4.618 -11.014 1.00 0.00 O ATOM 357 OE2 GLU A 22 -11.320 -4.101 -12.750 1.00 0.00 O ATOM 0 H GLU A 22 -10.643 -1.233 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.400 0.012 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.817 -2.691 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.491 -2.438 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.872 -1.855 -12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.170 -1.812 -11.615 1.00 0.00 H new ATOM 364 N THR A 23 -13.966 1.001 -8.669 1.00 0.00 N ATOM 365 CA THR A 23 -15.084 1.480 -7.867 1.00 0.00 C ATOM 366 C THR A 23 -16.415 1.152 -8.540 1.00 0.00 C ATOM 367 O THR A 23 -16.452 0.789 -9.716 1.00 0.00 O ATOM 368 CB THR A 23 -14.967 2.989 -7.643 1.00 0.00 C ATOM 369 OG1 THR A 23 -14.192 3.589 -8.666 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.333 3.350 -6.317 1.00 0.00 C ATOM 0 H THR A 23 -13.543 1.710 -9.268 1.00 0.00 H new ATOM 0 HA THR A 23 -15.052 0.974 -6.902 1.00 0.00 H new ATOM 0 HB THR A 23 -15.991 3.362 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.312 4.561 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.280 4.435 -6.222 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.934 2.943 -5.504 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.327 2.932 -6.269 1.00 0.00 H new ATOM 378 N PRO A 24 -17.529 1.275 -7.799 1.00 0.00 N ATOM 379 CA PRO A 24 -18.862 0.991 -8.325 1.00 0.00 C ATOM 380 C PRO A 24 -19.418 2.132 -9.175 1.00 0.00 C ATOM 381 O PRO A 24 -20.525 2.038 -9.706 1.00 0.00 O ATOM 382 CB PRO A 24 -19.694 0.812 -7.058 1.00 0.00 C ATOM 383 CG PRO A 24 -19.041 1.689 -6.050 1.00 0.00 C ATOM 384 CD PRO A 24 -17.574 1.702 -6.388 1.00 0.00 C ATOM 0 HA PRO A 24 -18.866 0.127 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.732 1.102 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.701 -0.228 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.457 2.696 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.204 1.310 -5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.143 2.695 -6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.011 1.023 -5.747 1.00 0.00 H new ATOM 392 N GLU A 25 -18.645 3.208 -9.303 1.00 0.00 N ATOM 393 CA GLU A 25 -19.067 4.361 -10.091 1.00 0.00 C ATOM 394 C GLU A 25 -18.001 4.738 -11.115 1.00 0.00 C ATOM 395 O GLU A 25 -17.852 5.908 -11.468 1.00 0.00 O ATOM 396 CB GLU A 25 -19.356 5.553 -9.176 1.00 0.00 C ATOM 397 CG GLU A 25 -20.333 6.553 -9.772 1.00 0.00 C ATOM 398 CD GLU A 25 -20.021 7.982 -9.371 1.00 0.00 C ATOM 399 OE1 GLU A 25 -19.946 8.254 -8.155 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.853 8.829 -10.274 1.00 0.00 O ATOM 0 H GLU A 25 -17.726 3.305 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.979 4.092 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.755 5.186 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.419 6.063 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.313 6.472 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -21.344 6.302 -9.452 1.00 0.00 H new ATOM 407 N GLY A 26 -17.262 3.740 -11.588 1.00 0.00 N ATOM 408 CA GLY A 26 -16.219 3.986 -12.567 1.00 0.00 C ATOM 409 C GLY A 26 -14.865 3.475 -12.114 1.00 0.00 C ATOM 410 O GLY A 26 -14.648 2.267 -12.026 1.00 0.00 O ATOM 0 H GLY A 26 -17.367 2.764 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.488 3.507 -13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.153 5.056 -12.762 1.00 0.00 H new ATOM 414 N SER A 27 -13.953 4.397 -11.826 1.00 0.00 N ATOM 415 CA SER A 27 -12.613 4.034 -11.380 1.00 0.00 C ATOM 416 C SER A 27 -11.992 5.159 -10.556 1.00 0.00 C ATOM 417 O SER A 27 -12.531 6.264 -10.492 1.00 0.00 O ATOM 418 CB SER A 27 -11.722 3.712 -12.582 1.00 0.00 C ATOM 419 OG SER A 27 -11.651 2.314 -12.804 1.00 0.00 O ATOM 0 H SER A 27 -14.117 5.401 -11.893 1.00 0.00 H new ATOM 0 HA SER A 27 -12.693 3.148 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.114 4.205 -13.472 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.721 4.108 -12.413 1.00 0.00 H new ATOM 0 HG SER A 27 -12.527 1.910 -12.631 1.00 0.00 H new ATOM 425 N VAL A 28 -10.859 4.869 -9.925 1.00 0.00 N ATOM 426 CA VAL A 28 -10.170 5.856 -9.103 1.00 0.00 C ATOM 427 C VAL A 28 -8.660 5.793 -9.310 1.00 0.00 C ATOM 428 O VAL A 28 -8.017 4.803 -8.961 1.00 0.00 O ATOM 429 CB VAL A 28 -10.480 5.656 -7.608 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.900 6.794 -6.782 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.980 5.537 -7.385 1.00 0.00 C ATOM 0 H VAL A 28 -10.399 3.959 -9.967 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.534 6.835 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.012 4.728 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.130 6.633 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.819 6.827 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.335 7.739 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.180 5.396 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.472 6.446 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.364 4.683 -7.943 1.00 0.00 H new ATOM 441 N HIS A 29 -8.100 6.859 -9.874 1.00 0.00 N ATOM 442 CA HIS A 29 -6.664 6.928 -10.122 1.00 0.00 C ATOM 443 C HIS A 29 -5.945 7.564 -8.937 1.00 0.00 C ATOM 444 O HIS A 29 -6.578 8.153 -8.060 1.00 0.00 O ATOM 445 CB HIS A 29 -6.381 7.725 -11.396 1.00 0.00 C ATOM 446 CG HIS A 29 -6.986 9.095 -11.392 1.00 0.00 C ATOM 447 ND1 HIS A 29 -8.237 9.513 -11.698 1.00 0.00 N flip ATOM 448 CD2 HIS A 29 -6.281 10.228 -11.043 1.00 0.00 C flip ATOM 449 CE1 HIS A 29 -8.264 10.875 -11.530 1.00 0.00 C flip ATOM 450 NE2 HIS A 29 -7.073 11.282 -11.134 1.00 0.00 N flip ATOM 0 H HIS A 29 -8.619 7.687 -10.168 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.290 5.912 -10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.303 7.813 -11.527 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.762 7.171 -12.254 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.244 10.250 -10.742 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.121 11.511 -11.695 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.809 12.246 -10.932 1.00 0.00 H new ATOM 459 N LEU A 30 -4.622 7.440 -8.911 1.00 0.00 N ATOM 460 CA LEU A 30 -3.828 8.004 -7.824 1.00 0.00 C ATOM 461 C LEU A 30 -2.338 7.955 -8.146 1.00 0.00 C ATOM 462 O LEU A 30 -1.922 7.317 -9.113 1.00 0.00 O ATOM 463 CB LEU A 30 -4.097 7.244 -6.524 1.00 0.00 C ATOM 464 CG LEU A 30 -4.267 5.731 -6.679 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.120 5.142 -7.487 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.355 5.063 -5.315 1.00 0.00 C ATOM 0 H LEU A 30 -4.079 6.957 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.121 9.047 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.274 7.433 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.998 7.650 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.196 5.544 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.260 4.066 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.101 5.598 -8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.177 5.340 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.476 3.987 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.442 5.261 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.210 5.461 -4.769 1.00 0.00 H new ATOM 478 N THR A 31 -1.539 8.624 -7.320 1.00 0.00 N ATOM 479 CA THR A 31 -0.095 8.647 -7.510 1.00 0.00 C ATOM 480 C THR A 31 0.526 7.353 -6.990 1.00 0.00 C ATOM 481 O THR A 31 0.208 6.906 -5.888 1.00 0.00 O ATOM 482 CB THR A 31 0.518 9.850 -6.791 1.00 0.00 C ATOM 483 OG1 THR A 31 -0.450 10.866 -6.598 1.00 0.00 O ATOM 484 CG2 THR A 31 1.684 10.463 -7.537 1.00 0.00 C ATOM 0 H THR A 31 -1.868 9.156 -6.514 1.00 0.00 H new ATOM 0 HA THR A 31 0.113 8.734 -8.576 1.00 0.00 H new ATOM 0 HB THR A 31 0.880 9.463 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.144 11.481 -5.899 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.072 11.311 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.470 9.718 -7.659 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.351 10.802 -8.518 1.00 0.00 H new ATOM 492 N PRO A 32 1.416 6.725 -7.776 1.00 0.00 N ATOM 493 CA PRO A 32 2.064 5.472 -7.380 1.00 0.00 C ATOM 494 C PRO A 32 3.057 5.652 -6.238 1.00 0.00 C ATOM 495 O PRO A 32 3.538 4.674 -5.668 1.00 0.00 O ATOM 496 CB PRO A 32 2.785 5.023 -8.652 1.00 0.00 C ATOM 497 CG PRO A 32 3.022 6.279 -9.417 1.00 0.00 C ATOM 498 CD PRO A 32 1.854 7.176 -9.111 1.00 0.00 C ATOM 0 HA PRO A 32 1.340 4.749 -7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.723 4.519 -8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.179 4.320 -9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.961 6.746 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.090 6.078 -10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.145 8.226 -9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.061 7.069 -9.851 1.00 0.00 H new ATOM 506 N SER A 33 3.360 6.900 -5.898 1.00 0.00 N ATOM 507 CA SER A 33 4.292 7.178 -4.814 1.00 0.00 C ATOM 508 C SER A 33 3.599 7.036 -3.473 1.00 0.00 C ATOM 509 O SER A 33 4.095 6.363 -2.569 1.00 0.00 O ATOM 510 CB SER A 33 4.888 8.580 -4.959 1.00 0.00 C ATOM 511 OG SER A 33 3.872 9.546 -5.166 1.00 0.00 O ATOM 0 H SER A 33 2.977 7.728 -6.354 1.00 0.00 H new ATOM 0 HA SER A 33 5.104 6.453 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.457 8.831 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.587 8.597 -5.796 1.00 0.00 H new ATOM 0 HG SER A 33 4.278 10.434 -5.254 1.00 0.00 H new ATOM 517 N GLU A 34 2.440 7.654 -3.363 1.00 0.00 N ATOM 518 CA GLU A 34 1.655 7.580 -2.141 1.00 0.00 C ATOM 519 C GLU A 34 0.883 6.279 -2.112 1.00 0.00 C ATOM 520 O GLU A 34 0.676 5.688 -1.054 1.00 0.00 O ATOM 521 CB GLU A 34 0.704 8.774 -2.029 1.00 0.00 C ATOM 522 CG GLU A 34 1.345 10.100 -2.409 1.00 0.00 C ATOM 523 CD GLU A 34 0.591 10.818 -3.512 1.00 0.00 C ATOM 524 OE1 GLU A 34 -0.654 10.879 -3.437 1.00 0.00 O ATOM 525 OE2 GLU A 34 1.247 11.319 -4.450 1.00 0.00 O ATOM 0 H GLU A 34 2.018 8.214 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 34 2.331 7.613 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.160 8.601 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.334 8.839 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.392 10.742 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.371 9.924 -2.731 1.00 0.00 H new ATOM 532 N SER A 35 0.499 5.813 -3.287 1.00 0.00 N ATOM 533 CA SER A 35 -0.201 4.551 -3.398 1.00 0.00 C ATOM 534 C SER A 35 0.824 3.423 -3.435 1.00 0.00 C ATOM 535 O SER A 35 0.486 2.252 -3.268 1.00 0.00 O ATOM 536 CB SER A 35 -1.096 4.530 -4.642 1.00 0.00 C ATOM 537 OG SER A 35 -0.415 3.985 -5.759 1.00 0.00 O ATOM 0 H SER A 35 0.661 6.290 -4.174 1.00 0.00 H new ATOM 0 HA SER A 35 -0.852 4.416 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.992 3.943 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.425 5.543 -4.873 1.00 0.00 H new ATOM 0 HG SER A 35 -0.795 3.109 -5.978 1.00 0.00 H new ATOM 543 N GLY A 36 2.094 3.799 -3.626 1.00 0.00 N ATOM 544 CA GLY A 36 3.159 2.823 -3.648 1.00 0.00 C ATOM 545 C GLY A 36 3.486 2.338 -2.258 1.00 0.00 C ATOM 546 O GLY A 36 3.886 1.189 -2.069 1.00 0.00 O ATOM 0 H GLY A 36 2.395 4.764 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.868 1.978 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.048 3.262 -4.101 1.00 0.00 H new ATOM 550 N ILE A 37 3.300 3.213 -1.274 1.00 0.00 N ATOM 551 CA ILE A 37 3.566 2.850 0.111 1.00 0.00 C ATOM 552 C ILE A 37 2.655 1.710 0.541 1.00 0.00 C ATOM 553 O ILE A 37 3.017 0.891 1.387 1.00 0.00 O ATOM 554 CB ILE A 37 3.382 4.044 1.071 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.781 3.645 2.493 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.945 4.545 1.037 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.685 4.781 3.488 1.00 0.00 C ATOM 0 H ILE A 37 2.970 4.168 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 37 4.608 2.533 0.165 1.00 0.00 H new ATOM 0 HB ILE A 37 4.031 4.856 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.142 2.827 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.803 3.267 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.837 5.387 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.695 4.865 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.273 3.743 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.982 4.426 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.345 5.592 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.658 5.144 3.527 1.00 0.00 H new ATOM 569 N LEU A 38 1.476 1.655 -0.065 1.00 0.00 N ATOM 570 CA LEU A 38 0.511 0.606 0.233 1.00 0.00 C ATOM 571 C LEU A 38 0.962 -0.716 -0.389 1.00 0.00 C ATOM 572 O LEU A 38 0.447 -1.782 -0.051 1.00 0.00 O ATOM 573 CB LEU A 38 -0.888 1.023 -0.268 1.00 0.00 C ATOM 574 CG LEU A 38 -1.575 0.090 -1.283 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.927 -0.370 -0.757 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.738 0.792 -2.624 1.00 0.00 C ATOM 0 H LEU A 38 1.165 2.326 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 38 0.452 0.461 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.542 1.122 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.805 2.012 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.944 -0.788 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.397 -1.028 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.789 -0.909 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.565 0.497 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.225 0.119 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.348 1.686 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.758 1.074 -3.009 1.00 0.00 H new ATOM 588 N LYS A 39 1.926 -0.634 -1.304 1.00 0.00 N ATOM 589 CA LYS A 39 2.445 -1.813 -1.980 1.00 0.00 C ATOM 590 C LYS A 39 3.450 -2.551 -1.111 1.00 0.00 C ATOM 591 O LYS A 39 3.533 -3.778 -1.149 1.00 0.00 O ATOM 592 CB LYS A 39 3.091 -1.413 -3.310 1.00 0.00 C ATOM 593 CG LYS A 39 2.454 -2.069 -4.523 1.00 0.00 C ATOM 594 CD LYS A 39 1.874 -1.034 -5.475 1.00 0.00 C ATOM 595 CE LYS A 39 2.921 -0.528 -6.455 1.00 0.00 C ATOM 596 NZ LYS A 39 2.918 0.958 -6.553 1.00 0.00 N ATOM 0 H LYS A 39 2.362 0.242 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 39 1.610 -2.487 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.031 -0.330 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.149 -1.673 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.198 -2.670 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.666 -2.749 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.041 -1.471 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.474 -0.196 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.907 -0.869 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.734 -0.957 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.934 1.240 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.060 1.334 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.758 1.339 -6.073 1.00 0.00 H new ATOM 610 N ARG A 40 4.208 -1.801 -0.329 1.00 0.00 N ATOM 611 CA ARG A 40 5.207 -2.395 0.551 1.00 0.00 C ATOM 612 C ARG A 40 4.563 -2.899 1.833 1.00 0.00 C ATOM 613 O ARG A 40 5.064 -3.825 2.470 1.00 0.00 O ATOM 614 CB ARG A 40 6.312 -1.388 0.872 1.00 0.00 C ATOM 615 CG ARG A 40 7.495 -1.459 -0.081 1.00 0.00 C ATOM 616 CD ARG A 40 7.225 -0.690 -1.364 1.00 0.00 C ATOM 617 NE ARG A 40 7.891 -1.293 -2.516 1.00 0.00 N ATOM 618 CZ ARG A 40 7.415 -2.339 -3.188 1.00 0.00 C ATOM 619 NH1 ARG A 40 6.274 -2.910 -2.820 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.081 -2.816 -4.230 1.00 0.00 N ATOM 0 H ARG A 40 4.153 -0.783 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 40 5.653 -3.243 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.894 -0.382 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.664 -1.560 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.381 -1.054 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.710 -2.501 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.151 -0.653 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.564 0.339 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 40 8.775 -0.888 -2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.757 -2.547 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.914 -3.711 -3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.958 -2.382 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.716 -3.617 -4.745 1.00 0.00 H new ATOM 634 N LEU A 41 3.443 -2.294 2.198 1.00 0.00 N ATOM 635 CA LEU A 41 2.722 -2.695 3.395 1.00 0.00 C ATOM 636 C LEU A 41 1.833 -3.896 3.100 1.00 0.00 C ATOM 637 O LEU A 41 1.485 -4.659 4.002 1.00 0.00 O ATOM 638 CB LEU A 41 1.891 -1.530 3.938 1.00 0.00 C ATOM 639 CG LEU A 41 2.382 -0.947 5.265 1.00 0.00 C ATOM 640 CD1 LEU A 41 3.426 0.133 5.023 1.00 0.00 C ATOM 641 CD2 LEU A 41 1.215 -0.393 6.067 1.00 0.00 C ATOM 0 H LEU A 41 3.015 -1.525 1.683 1.00 0.00 H new ATOM 0 HA LEU A 41 3.447 -2.981 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.877 -0.735 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.862 -1.866 4.065 1.00 0.00 H new ATOM 0 HG LEU A 41 2.846 -1.747 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.762 0.535 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.275 -0.295 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.989 0.934 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.582 0.018 7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.722 0.393 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.503 -1.192 6.273 1.00 0.00 H new ATOM 653 N LEU A 42 1.482 -4.071 1.829 1.00 0.00 N ATOM 654 CA LEU A 42 0.650 -5.194 1.424 1.00 0.00 C ATOM 655 C LEU A 42 1.477 -6.472 1.374 1.00 0.00 C ATOM 656 O LEU A 42 0.946 -7.571 1.530 1.00 0.00 O ATOM 657 CB LEU A 42 0.002 -4.922 0.063 1.00 0.00 C ATOM 658 CG LEU A 42 -1.514 -4.714 0.097 1.00 0.00 C ATOM 659 CD1 LEU A 42 -2.206 -5.919 0.715 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.862 -3.446 0.863 1.00 0.00 C ATOM 0 H LEU A 42 1.760 -3.452 1.067 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.143 -5.320 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.465 -4.037 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.224 -5.757 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.868 -4.604 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.283 -5.752 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.985 -6.808 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.847 -6.062 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.944 -3.315 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.493 -3.526 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.398 -2.588 0.376 1.00 0.00 H new ATOM 672 N ILE A 43 2.784 -6.322 1.175 1.00 0.00 N ATOM 673 CA ILE A 43 3.675 -7.474 1.129 1.00 0.00 C ATOM 674 C ILE A 43 3.756 -8.125 2.503 1.00 0.00 C ATOM 675 O ILE A 43 3.861 -9.345 2.620 1.00 0.00 O ATOM 676 CB ILE A 43 5.098 -7.099 0.665 1.00 0.00 C ATOM 677 CG1 ILE A 43 5.044 -6.017 -0.420 1.00 0.00 C ATOM 678 CG2 ILE A 43 5.824 -8.339 0.159 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.337 -5.854 -1.191 1.00 0.00 C ATOM 0 H ILE A 43 3.245 -5.422 1.044 1.00 0.00 H new ATOM 0 HA ILE A 43 3.257 -8.170 0.402 1.00 0.00 H new ATOM 0 HB ILE A 43 5.650 -6.696 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.244 -6.258 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.787 -5.065 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.828 -8.066 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.890 -9.074 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.274 -8.766 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.218 -5.071 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.138 -5.581 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.587 -6.793 -1.685 1.00 0.00 H new ATOM 691 N ASN A 44 3.690 -7.297 3.542 1.00 0.00 N ATOM 692 CA ASN A 44 3.740 -7.787 4.913 1.00 0.00 C ATOM 693 C ASN A 44 2.333 -8.020 5.438 1.00 0.00 C ATOM 694 O ASN A 44 2.043 -9.045 6.054 1.00 0.00 O ATOM 695 CB ASN A 44 4.479 -6.793 5.811 1.00 0.00 C ATOM 696 CG ASN A 44 5.961 -6.726 5.501 1.00 0.00 C ATOM 697 OD1 ASN A 44 6.391 -7.056 4.396 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.751 -6.296 6.478 1.00 0.00 N ATOM 0 H ASN A 44 3.602 -6.284 3.459 1.00 0.00 H new ATOM 0 HA ASN A 44 4.282 -8.733 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.040 -5.803 5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.341 -7.078 6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.758 -6.229 6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.351 -6.033 7.379 1.00 0.00 H new ATOM 705 N LYS A 45 1.465 -7.055 5.180 1.00 0.00 N ATOM 706 CA LYS A 45 0.075 -7.128 5.608 1.00 0.00 C ATOM 707 C LYS A 45 -0.021 -7.368 7.110 1.00 0.00 C ATOM 708 O LYS A 45 0.001 -8.507 7.577 1.00 0.00 O ATOM 709 CB LYS A 45 -0.660 -8.228 4.844 1.00 0.00 C ATOM 710 CG LYS A 45 -2.100 -7.874 4.506 1.00 0.00 C ATOM 711 CD LYS A 45 -2.955 -7.743 5.758 1.00 0.00 C ATOM 712 CE LYS A 45 -3.592 -6.366 5.857 1.00 0.00 C ATOM 713 NZ LYS A 45 -4.860 -6.393 6.639 1.00 0.00 N ATOM 0 H LYS A 45 1.701 -6.203 4.671 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.399 -6.172 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.120 -8.441 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.649 -9.142 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.124 -6.937 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.521 -8.641 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.734 -8.505 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.341 -7.925 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.891 -5.675 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.792 -5.986 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.596 -5.869 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.165 -7.378 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.705 -5.951 7.567 1.00 0.00 H new ATOM 727 N GLY A 46 -0.128 -6.278 7.855 1.00 0.00 N ATOM 728 CA GLY A 46 -0.228 -6.359 9.301 1.00 0.00 C ATOM 729 C GLY A 46 1.102 -6.665 9.960 1.00 0.00 C ATOM 730 O GLY A 46 1.489 -7.827 10.090 1.00 0.00 O ATOM 0 H GLY A 46 -0.148 -5.329 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.613 -5.416 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.949 -7.132 9.569 1.00 0.00 H new ATOM 734 N GLN A 47 1.800 -5.615 10.378 1.00 0.00 N ATOM 735 CA GLN A 47 3.096 -5.762 11.030 1.00 0.00 C ATOM 736 C GLN A 47 3.495 -4.466 11.730 1.00 0.00 C ATOM 737 O GLN A 47 3.200 -3.373 11.246 1.00 0.00 O ATOM 738 CB GLN A 47 4.163 -6.156 10.007 1.00 0.00 C ATOM 739 CG GLN A 47 5.538 -6.371 10.617 1.00 0.00 C ATOM 740 CD GLN A 47 5.654 -7.700 11.338 1.00 0.00 C ATOM 741 OE1 GLN A 47 4.828 -8.594 11.151 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.682 -7.836 12.167 1.00 0.00 N ATOM 0 H GLN A 47 1.488 -4.649 10.276 1.00 0.00 H new ATOM 0 HA GLN A 47 3.016 -6.551 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.851 -7.071 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.230 -5.379 9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.292 -6.321 9.831 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.752 -5.563 11.316 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.342 -7.068 12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.812 -8.708 12.680 1.00 0.00 H new ATOM 751 N LEU A 48 4.165 -4.595 12.871 1.00 0.00 N ATOM 752 CA LEU A 48 4.599 -3.430 13.635 1.00 0.00 C ATOM 753 C LEU A 48 5.716 -2.687 12.911 1.00 0.00 C ATOM 754 O LEU A 48 6.802 -3.227 12.703 1.00 0.00 O ATOM 755 CB LEU A 48 5.071 -3.852 15.028 1.00 0.00 C ATOM 756 CG LEU A 48 5.550 -2.707 15.924 1.00 0.00 C ATOM 757 CD1 LEU A 48 4.508 -1.600 15.981 1.00 0.00 C ATOM 758 CD2 LEU A 48 5.860 -3.220 17.322 1.00 0.00 C ATOM 0 H LEU A 48 4.419 -5.492 13.286 1.00 0.00 H new ATOM 0 HA LEU A 48 3.747 -2.758 13.736 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.254 -4.369 15.531 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.883 -4.571 14.918 1.00 0.00 H new ATOM 0 HG LEU A 48 6.464 -2.295 15.497 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.867 -0.795 16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.333 -1.213 14.977 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.577 -1.997 16.384 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.199 -2.393 17.946 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.961 -3.658 17.757 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.642 -3.977 17.267 1.00 0.00 H new ATOM 770 N CYS A 49 5.441 -1.443 12.532 1.00 0.00 N ATOM 771 CA CYS A 49 6.421 -0.622 11.832 1.00 0.00 C ATOM 772 C CYS A 49 6.019 0.850 11.860 1.00 0.00 C ATOM 773 O CYS A 49 5.261 1.310 11.006 1.00 0.00 O ATOM 774 CB CYS A 49 6.573 -1.093 10.384 1.00 0.00 C ATOM 775 SG CYS A 49 7.880 -2.319 10.141 1.00 0.00 S ATOM 0 H CYS A 49 4.547 -0.982 12.698 1.00 0.00 H new ATOM 0 HA CYS A 49 7.377 -0.729 12.344 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.626 -1.516 10.049 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.778 -0.229 9.752 1.00 0.00 H new ATOM 0 HG CYS A 49 7.878 -3.158 11.134 1.00 0.00 H new ATOM 781 N LEU A 50 6.530 1.579 12.851 1.00 0.00 N ATOM 782 CA LEU A 50 6.229 3.005 13.004 1.00 0.00 C ATOM 783 C LEU A 50 6.250 3.727 11.656 1.00 0.00 C ATOM 784 O LEU A 50 6.807 3.226 10.679 1.00 0.00 O ATOM 785 CB LEU A 50 7.207 3.691 13.977 1.00 0.00 C ATOM 786 CG LEU A 50 8.569 3.010 14.196 1.00 0.00 C ATOM 787 CD1 LEU A 50 8.463 1.916 15.250 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.130 2.454 12.891 1.00 0.00 C ATOM 0 H LEU A 50 7.157 1.205 13.563 1.00 0.00 H new ATOM 0 HA LEU A 50 5.224 3.071 13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.389 4.703 13.616 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.714 3.781 14.945 1.00 0.00 H new ATOM 0 HG LEU A 50 9.264 3.768 14.558 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.438 1.448 15.388 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.132 2.350 16.193 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.743 1.165 14.924 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.093 1.980 13.082 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.438 1.718 12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.261 3.266 12.176 1.00 0.00 H new ATOM 800 N ARG A 51 5.628 4.901 11.612 1.00 0.00 N ATOM 801 CA ARG A 51 5.560 5.693 10.387 1.00 0.00 C ATOM 802 C ARG A 51 6.943 5.953 9.806 1.00 0.00 C ATOM 803 O ARG A 51 7.079 6.207 8.612 1.00 0.00 O ATOM 804 CB ARG A 51 4.848 7.020 10.652 1.00 0.00 C ATOM 805 CG ARG A 51 5.563 7.903 11.662 1.00 0.00 C ATOM 806 CD ARG A 51 4.773 9.168 11.955 1.00 0.00 C ATOM 807 NE ARG A 51 5.228 9.827 13.177 1.00 0.00 N ATOM 808 CZ ARG A 51 6.384 10.478 13.282 1.00 0.00 C ATOM 809 NH1 ARG A 51 7.206 10.558 12.243 1.00 0.00 N ATOM 810 NH2 ARG A 51 6.720 11.052 14.430 1.00 0.00 N ATOM 0 H ARG A 51 5.162 5.327 12.413 1.00 0.00 H new ATOM 0 HA ARG A 51 4.992 5.117 9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.749 7.564 9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.839 6.816 11.010 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.718 7.347 12.587 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.549 8.169 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.867 9.857 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.715 8.921 12.048 1.00 0.00 H new ATOM 0 HE ARG A 51 4.624 9.786 13.998 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.953 10.119 11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.091 11.058 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.092 10.994 15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.606 11.551 14.511 1.00 0.00 H new ATOM 824 N LYS A 52 7.965 5.885 10.648 1.00 0.00 N ATOM 825 CA LYS A 52 9.333 6.112 10.196 1.00 0.00 C ATOM 826 C LYS A 52 9.779 4.995 9.270 1.00 0.00 C ATOM 827 O LYS A 52 10.245 5.235 8.158 1.00 0.00 O ATOM 828 CB LYS A 52 10.283 6.221 11.390 1.00 0.00 C ATOM 829 CG LYS A 52 9.858 7.263 12.412 1.00 0.00 C ATOM 830 CD LYS A 52 11.032 7.721 13.262 1.00 0.00 C ATOM 831 CE LYS A 52 10.960 9.210 13.554 1.00 0.00 C ATOM 832 NZ LYS A 52 11.699 10.011 12.540 1.00 0.00 N ATOM 0 H LYS A 52 7.875 5.676 11.642 1.00 0.00 H new ATOM 0 HA LYS A 52 9.359 7.052 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.350 5.250 11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.282 6.465 11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.422 8.121 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.082 6.848 13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.042 7.165 14.200 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.966 7.495 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.917 9.526 13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.373 9.406 14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.626 11.021 12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.700 9.728 12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.289 9.844 11.599 1.00 0.00 H new ATOM 846 N HIS A 53 9.614 3.773 9.733 1.00 0.00 N ATOM 847 CA HIS A 53 9.981 2.602 8.948 1.00 0.00 C ATOM 848 C HIS A 53 9.347 2.669 7.568 1.00 0.00 C ATOM 849 O HIS A 53 9.902 2.168 6.590 1.00 0.00 O ATOM 850 CB HIS A 53 9.542 1.330 9.665 1.00 0.00 C ATOM 851 CG HIS A 53 10.241 0.095 9.186 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.496 -0.162 7.855 1.00 0.00 N ATOM 853 CD2 HIS A 53 10.744 -0.960 9.873 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.123 -1.320 7.744 1.00 0.00 C ATOM 855 NE2 HIS A 53 11.286 -1.823 8.953 1.00 0.00 N ATOM 0 H HIS A 53 9.227 3.560 10.652 1.00 0.00 H new ATOM 0 HA HIS A 53 11.065 2.587 8.833 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.721 1.446 10.734 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.467 1.202 9.534 1.00 0.00 H new ATOM 0 HD1 HIS A 53 10.240 0.447 7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.722 -1.096 10.944 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.447 -1.777 6.821 1.00 0.00 H new ATOM 864 N LEU A 54 8.187 3.308 7.494 1.00 0.00 N ATOM 865 CA LEU A 54 7.484 3.459 6.229 1.00 0.00 C ATOM 866 C LEU A 54 8.333 4.260 5.250 1.00 0.00 C ATOM 867 O LEU A 54 8.207 4.113 4.036 1.00 0.00 O ATOM 868 CB LEU A 54 6.131 4.142 6.444 1.00 0.00 C ATOM 869 CG LEU A 54 4.921 3.208 6.391 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.984 2.189 7.518 1.00 0.00 C ATOM 871 CD2 LEU A 54 3.629 4.007 6.463 1.00 0.00 C ATOM 0 H LEU A 54 7.714 3.729 8.294 1.00 0.00 H new ATOM 0 HA LEU A 54 7.305 2.469 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.143 4.642 7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.007 4.916 5.687 1.00 0.00 H new ATOM 0 HG LEU A 54 4.941 2.671 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.115 1.533 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.893 1.596 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.989 2.707 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.778 3.327 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.601 4.570 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.581 4.697 5.621 1.00 0.00 H new ATOM 883 N LEU A 55 9.212 5.097 5.794 1.00 0.00 N ATOM 884 CA LEU A 55 10.099 5.914 4.975 1.00 0.00 C ATOM 885 C LEU A 55 11.001 5.024 4.138 1.00 0.00 C ATOM 886 O LEU A 55 11.369 5.363 3.013 1.00 0.00 O ATOM 887 CB LEU A 55 10.956 6.833 5.857 1.00 0.00 C ATOM 888 CG LEU A 55 10.214 7.958 6.597 1.00 0.00 C ATOM 889 CD1 LEU A 55 8.723 7.672 6.698 1.00 0.00 C ATOM 890 CD2 LEU A 55 10.807 8.154 7.985 1.00 0.00 C ATOM 0 H LEU A 55 9.328 5.227 6.799 1.00 0.00 H new ATOM 0 HA LEU A 55 9.487 6.531 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.467 6.217 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.726 7.285 5.232 1.00 0.00 H new ATOM 0 HG LEU A 55 10.339 8.875 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.231 8.488 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.301 7.582 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.567 6.741 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.273 8.953 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.713 7.230 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.860 8.420 7.896 1.00 0.00 H new ATOM 902 N GLU A 56 11.347 3.878 4.703 1.00 0.00 N ATOM 903 CA GLU A 56 12.203 2.915 4.029 1.00 0.00 C ATOM 904 C GLU A 56 11.429 2.149 2.959 1.00 0.00 C ATOM 905 O GLU A 56 12.022 1.478 2.116 1.00 0.00 O ATOM 906 CB GLU A 56 12.800 1.942 5.048 1.00 0.00 C ATOM 907 CG GLU A 56 13.983 2.514 5.812 1.00 0.00 C ATOM 908 CD GLU A 56 15.223 1.646 5.707 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.144 0.453 6.067 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.272 2.160 5.266 1.00 0.00 O ATOM 0 H GLU A 56 11.045 3.591 5.634 1.00 0.00 H new ATOM 0 HA GLU A 56 13.010 3.459 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.026 1.651 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.115 1.036 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.209 3.510 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.712 2.628 6.862 1.00 0.00 H new ATOM 917 N GLU A 57 10.101 2.252 2.994 1.00 0.00 N ATOM 918 CA GLU A 57 9.261 1.567 2.020 1.00 0.00 C ATOM 919 C GLU A 57 9.014 2.447 0.806 1.00 0.00 C ATOM 920 O GLU A 57 8.914 1.959 -0.320 1.00 0.00 O ATOM 921 CB GLU A 57 7.932 1.152 2.653 1.00 0.00 C ATOM 922 CG GLU A 57 8.091 0.292 3.896 1.00 0.00 C ATOM 923 CD GLU A 57 8.971 -0.921 3.658 1.00 0.00 C ATOM 924 OE1 GLU A 57 8.957 -1.451 2.528 1.00 0.00 O ATOM 925 OE2 GLU A 57 9.673 -1.339 4.603 1.00 0.00 O ATOM 0 H GLU A 57 9.588 2.801 3.684 1.00 0.00 H new ATOM 0 HA GLU A 57 9.786 0.670 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.367 2.048 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.344 0.605 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.518 0.894 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.108 -0.037 4.234 1.00 0.00 H new ATOM 932 N ILE A 58 8.946 3.748 1.037 1.00 0.00 N ATOM 933 CA ILE A 58 8.743 4.698 -0.053 1.00 0.00 C ATOM 934 C ILE A 58 10.086 5.065 -0.663 1.00 0.00 C ATOM 935 O ILE A 58 10.177 5.412 -1.840 1.00 0.00 O ATOM 936 CB ILE A 58 8.010 5.997 0.378 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.643 5.981 1.867 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.764 6.201 -0.474 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.438 5.122 2.193 1.00 0.00 C ATOM 0 H ILE A 58 9.027 4.172 1.961 1.00 0.00 H new ATOM 0 HA ILE A 58 8.101 4.199 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 58 8.694 6.831 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.499 5.621 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.448 7.002 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.257 7.115 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.050 6.283 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.093 5.352 -0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.242 5.162 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.569 5.494 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.636 4.091 1.899 1.00 0.00 H new ATOM 951 N LYS A 59 11.130 4.970 0.151 1.00 0.00 N ATOM 952 CA LYS A 59 12.479 5.272 -0.294 1.00 0.00 C ATOM 953 C LYS A 59 13.061 4.093 -1.068 1.00 0.00 C ATOM 954 O LYS A 59 13.941 4.266 -1.910 1.00 0.00 O ATOM 955 CB LYS A 59 13.367 5.611 0.904 1.00 0.00 C ATOM 956 CG LYS A 59 14.671 6.293 0.521 1.00 0.00 C ATOM 957 CD LYS A 59 15.782 5.972 1.510 1.00 0.00 C ATOM 958 CE LYS A 59 16.138 7.180 2.362 1.00 0.00 C ATOM 959 NZ LYS A 59 17.361 7.869 1.865 1.00 0.00 N ATOM 0 H LYS A 59 11.064 4.684 1.128 1.00 0.00 H new ATOM 0 HA LYS A 59 12.441 6.136 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.814 6.259 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.592 4.695 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.969 5.975 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.520 7.372 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.470 5.150 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.666 5.634 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.303 7.880 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.293 6.864 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.570 8.687 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.164 7.208 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.204 8.194 0.889 1.00 0.00 H new ATOM 973 N ASN A 60 12.556 2.890 -0.785 1.00 0.00 N ATOM 974 CA ASN A 60 13.021 1.692 -1.462 1.00 0.00 C ATOM 975 C ASN A 60 12.117 1.355 -2.644 1.00 0.00 C ATOM 976 O ASN A 60 11.940 0.187 -2.992 1.00 0.00 O ATOM 977 CB ASN A 60 13.073 0.512 -0.491 1.00 0.00 C ATOM 978 CG ASN A 60 14.298 0.550 0.402 1.00 0.00 C ATOM 979 OD1 ASN A 60 14.427 1.613 1.187 1.00 0.00 O flip ATOM 980 ND2 ASN A 60 15.120 -0.367 0.388 1.00 0.00 N flip ATOM 0 H ASN A 60 11.826 2.727 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 60 14.027 1.884 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.176 0.515 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.068 -0.420 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.982 -1.166 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.938 -0.328 0.995 1.00 0.00 H new ATOM 987 N HIS A 61 11.545 2.388 -3.256 1.00 0.00 N ATOM 988 CA HIS A 61 10.658 2.209 -4.396 1.00 0.00 C ATOM 989 C HIS A 61 10.421 3.537 -5.107 1.00 0.00 C ATOM 990 O HIS A 61 10.777 3.701 -6.275 1.00 0.00 O ATOM 991 CB HIS A 61 9.324 1.615 -3.943 1.00 0.00 C ATOM 992 CG HIS A 61 8.590 0.892 -5.030 1.00 0.00 C ATOM 993 ND1 HIS A 61 9.121 -0.183 -5.711 1.00 0.00 N ATOM 994 CD2 HIS A 61 7.358 1.096 -5.554 1.00 0.00 C ATOM 995 CE1 HIS A 61 8.247 -0.609 -6.607 1.00 0.00 C ATOM 996 NE2 HIS A 61 7.170 0.149 -6.531 1.00 0.00 N ATOM 0 H HIS A 61 11.682 3.360 -2.979 1.00 0.00 H new ATOM 0 HA HIS A 61 11.134 1.520 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.504 0.926 -3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.691 2.415 -3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.655 1.861 -5.259 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.390 -1.437 -7.286 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.333 0.048 -7.105 1.00 0.00 H new ATOM 1005 N ALA A 62 9.818 4.484 -4.394 1.00 0.00 N ATOM 1006 CA ALA A 62 9.533 5.801 -4.953 1.00 0.00 C ATOM 1007 C ALA A 62 8.837 6.694 -3.932 1.00 0.00 C ATOM 1008 O ALA A 62 7.616 6.645 -3.780 1.00 0.00 O ATOM 1009 CB ALA A 62 8.679 5.672 -6.207 1.00 0.00 C ATOM 0 H ALA A 62 9.517 4.363 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 62 10.483 6.265 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.475 6.663 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.212 5.079 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.738 5.181 -5.958 1.00 0.00 H new ATOM 1015 N LYS A 63 9.620 7.514 -3.237 1.00 0.00 N ATOM 1016 CA LYS A 63 9.077 8.423 -2.233 1.00 0.00 C ATOM 1017 C LYS A 63 8.605 9.720 -2.885 1.00 0.00 C ATOM 1018 O LYS A 63 9.028 10.811 -2.502 1.00 0.00 O ATOM 1019 CB LYS A 63 10.131 8.725 -1.166 1.00 0.00 C ATOM 1020 CG LYS A 63 11.412 9.321 -1.728 1.00 0.00 C ATOM 1021 CD LYS A 63 11.895 10.497 -0.893 1.00 0.00 C ATOM 1022 CE LYS A 63 13.153 11.117 -1.479 1.00 0.00 C ATOM 1023 NZ LYS A 63 14.293 10.159 -1.483 1.00 0.00 N ATOM 0 H LYS A 63 10.632 7.568 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 63 8.222 7.941 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.709 9.415 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.371 7.805 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.187 8.555 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.243 9.648 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.110 11.251 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.093 10.164 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.954 11.449 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.424 12.002 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.172 10.666 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.381 9.720 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.123 9.421 -2.195 1.00 0.00 H new ATOM 1037 N ALA A 64 7.729 9.591 -3.876 1.00 0.00 N ATOM 1038 CA ALA A 64 7.201 10.748 -4.588 1.00 0.00 C ATOM 1039 C ALA A 64 8.324 11.553 -5.226 1.00 0.00 C ATOM 1040 O ALA A 64 8.255 12.780 -5.309 1.00 0.00 O ATOM 1041 CB ALA A 64 6.382 11.621 -3.650 1.00 0.00 C ATOM 0 H ALA A 64 7.369 8.695 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 64 6.549 10.389 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.995 12.480 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.550 11.043 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.013 11.967 -2.831 1.00 0.00 H new ATOM 1047 N ILE A 65 9.356 10.847 -5.679 1.00 0.00 N ATOM 1048 CA ILE A 65 10.511 11.475 -6.320 1.00 0.00 C ATOM 1049 C ILE A 65 10.927 12.758 -5.596 1.00 0.00 C ATOM 1050 O ILE A 65 10.576 13.862 -6.010 1.00 0.00 O ATOM 1051 CB ILE A 65 10.226 11.779 -7.810 1.00 0.00 C ATOM 1052 CG1 ILE A 65 11.400 12.530 -8.449 1.00 0.00 C ATOM 1053 CG2 ILE A 65 8.933 12.568 -7.963 1.00 0.00 C ATOM 1054 CD1 ILE A 65 12.697 11.751 -8.432 1.00 0.00 C ATOM 0 H ILE A 65 9.417 9.831 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 65 11.335 10.764 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 65 10.108 10.829 -8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.146 12.775 -9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.546 13.474 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.753 12.770 -9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.103 11.989 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.016 13.511 -7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.483 12.343 -8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.975 11.529 -7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.569 10.819 -8.982 1.00 0.00 H new ATOM 1066 N VAL A 66 11.678 12.599 -4.510 1.00 0.00 N ATOM 1067 CA VAL A 66 12.146 13.736 -3.725 1.00 0.00 C ATOM 1068 C VAL A 66 11.010 14.719 -3.444 1.00 0.00 C ATOM 1069 O VAL A 66 10.743 15.620 -4.240 1.00 0.00 O ATOM 1070 CB VAL A 66 13.292 14.468 -4.449 1.00 0.00 C ATOM 1071 CG1 VAL A 66 13.711 15.718 -3.687 1.00 0.00 C ATOM 1072 CG2 VAL A 66 14.477 13.536 -4.646 1.00 0.00 C ATOM 0 H VAL A 66 11.976 11.691 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 66 12.515 13.346 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 66 12.930 14.779 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.521 16.215 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.861 16.396 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.051 15.439 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.278 14.069 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.834 13.191 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.170 12.679 -5.245 1.00 0.00 H new ATOM 1082 N ALA A 67 10.344 14.538 -2.307 1.00 0.00 N ATOM 1083 CA ALA A 67 9.239 15.408 -1.922 1.00 0.00 C ATOM 1084 C ALA A 67 9.423 15.934 -0.502 1.00 0.00 C ATOM 1085 O ALA A 67 10.471 15.737 0.113 1.00 0.00 O ATOM 1086 CB ALA A 67 7.917 14.664 -2.048 1.00 0.00 C ATOM 0 H ALA A 67 10.551 13.797 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 67 9.227 16.264 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.099 15.324 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.776 14.344 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.927 13.791 -1.396 1.00 0.00 H new ATOM 1092 N ARG A 68 8.397 16.605 0.012 1.00 0.00 N ATOM 1093 CA ARG A 68 8.445 17.161 1.359 1.00 0.00 C ATOM 1094 C ARG A 68 8.563 16.058 2.400 1.00 0.00 C ATOM 1095 O ARG A 68 9.568 15.949 3.102 1.00 0.00 O ATOM 1096 CB ARG A 68 7.195 18.002 1.629 1.00 0.00 C ATOM 1097 CG ARG A 68 7.472 19.264 2.430 1.00 0.00 C ATOM 1098 CD ARG A 68 6.195 20.045 2.696 1.00 0.00 C ATOM 1099 NE ARG A 68 6.399 21.487 2.577 1.00 0.00 N ATOM 1100 CZ ARG A 68 5.475 22.395 2.884 1.00 0.00 C ATOM 1101 NH1 ARG A 68 4.283 22.015 3.327 1.00 0.00 N ATOM 1102 NH2 ARG A 68 5.744 23.686 2.748 1.00 0.00 N ATOM 0 H ARG A 68 7.522 16.777 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 68 9.327 17.797 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.741 18.278 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.467 17.394 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.942 18.999 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.178 19.893 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.424 19.729 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.830 19.812 3.696 1.00 0.00 H new ATOM 0 HE ARG A 68 7.303 21.817 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.071 21.023 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.579 22.715 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.659 23.983 2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.036 24.382 2.983 1.00 0.00 H new ATOM 1116 N ASN A 69 7.526 15.245 2.485 1.00 0.00 N ATOM 1117 CA ASN A 69 7.489 14.138 3.434 1.00 0.00 C ATOM 1118 C ASN A 69 6.513 13.062 2.971 1.00 0.00 C ATOM 1119 O ASN A 69 5.708 13.289 2.067 1.00 0.00 O ATOM 1120 CB ASN A 69 7.088 14.641 4.822 1.00 0.00 C ATOM 1121 CG ASN A 69 8.043 15.691 5.355 1.00 0.00 C ATOM 1122 OD1 ASN A 69 9.199 15.398 5.661 1.00 0.00 O ATOM 1123 ND2 ASN A 69 7.563 16.924 5.468 1.00 0.00 N ATOM 0 H ASN A 69 6.691 15.328 1.906 1.00 0.00 H new ATOM 0 HA ASN A 69 8.487 13.703 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.082 15.058 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.054 13.800 5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.159 17.673 5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.598 17.122 5.203 1.00 0.00 H new ATOM 1130 N VAL A 70 6.588 11.891 3.595 1.00 0.00 N ATOM 1131 CA VAL A 70 5.707 10.785 3.242 1.00 0.00 C ATOM 1132 C VAL A 70 4.426 10.818 4.067 1.00 0.00 C ATOM 1133 O VAL A 70 3.373 10.370 3.617 1.00 0.00 O ATOM 1134 CB VAL A 70 6.405 9.421 3.430 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.788 9.201 4.886 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.521 8.287 2.929 1.00 0.00 C ATOM 0 H VAL A 70 7.248 11.684 4.345 1.00 0.00 H new ATOM 0 HA VAL A 70 5.455 10.905 2.188 1.00 0.00 H new ATOM 0 HB VAL A 70 7.320 9.428 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.278 8.233 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.469 9.989 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.891 9.223 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.034 7.336 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.585 8.282 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.311 8.430 1.869 1.00 0.00 H new ATOM 1146 N ASP A 71 4.522 11.359 5.272 1.00 0.00 N ATOM 1147 CA ASP A 71 3.368 11.455 6.158 1.00 0.00 C ATOM 1148 C ASP A 71 2.311 12.371 5.563 1.00 0.00 C ATOM 1149 O ASP A 71 1.112 12.153 5.735 1.00 0.00 O ATOM 1150 CB ASP A 71 3.791 11.959 7.540 1.00 0.00 C ATOM 1151 CG ASP A 71 3.681 10.886 8.605 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.599 10.767 9.218 1.00 0.00 O ATOM 1153 OD2 ASP A 71 4.676 10.164 8.826 1.00 0.00 O ATOM 0 H ASP A 71 5.386 11.738 5.660 1.00 0.00 H new ATOM 0 HA ASP A 71 2.940 10.459 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.819 12.317 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.169 12.810 7.819 1.00 0.00 H new ATOM 1158 N VAL A 72 2.767 13.387 4.849 1.00 0.00 N ATOM 1159 CA VAL A 72 1.865 14.332 4.207 1.00 0.00 C ATOM 1160 C VAL A 72 1.340 13.761 2.899 1.00 0.00 C ATOM 1161 O VAL A 72 0.261 14.128 2.435 1.00 0.00 O ATOM 1162 CB VAL A 72 2.555 15.682 3.933 1.00 0.00 C ATOM 1163 CG1 VAL A 72 1.541 16.718 3.475 1.00 0.00 C ATOM 1164 CG2 VAL A 72 3.300 16.163 5.169 1.00 0.00 C ATOM 0 H VAL A 72 3.757 13.580 4.699 1.00 0.00 H new ATOM 0 HA VAL A 72 1.035 14.503 4.893 1.00 0.00 H new ATOM 0 HB VAL A 72 3.281 15.541 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.048 17.665 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.059 16.376 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.788 16.858 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.781 17.118 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.597 16.287 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.057 15.429 5.446 1.00 0.00 H new ATOM 1174 N HIS A 73 2.106 12.846 2.319 1.00 0.00 N ATOM 1175 CA HIS A 73 1.718 12.204 1.074 1.00 0.00 C ATOM 1176 C HIS A 73 0.709 11.098 1.344 1.00 0.00 C ATOM 1177 O HIS A 73 -0.133 10.789 0.501 1.00 0.00 O ATOM 1178 CB HIS A 73 2.947 11.640 0.356 1.00 0.00 C ATOM 1179 CG HIS A 73 3.440 12.512 -0.756 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.592 13.877 -0.631 1.00 0.00 N ATOM 1181 CD2 HIS A 73 3.817 12.208 -2.021 1.00 0.00 C ATOM 1182 CE1 HIS A 73 4.039 14.374 -1.770 1.00 0.00 C ATOM 1183 NE2 HIS A 73 4.185 13.383 -2.630 1.00 0.00 N ATOM 0 H HIS A 73 3.001 12.533 2.694 1.00 0.00 H new ATOM 0 HA HIS A 73 1.254 12.950 0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.749 11.500 1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.704 10.656 -0.045 1.00 0.00 H new ATOM 0 HD1 HIS A 73 3.391 14.418 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.826 11.225 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.250 15.415 -1.965 1.00 0.00 H new ATOM 1192 N ILE A 74 0.790 10.517 2.536 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.129 9.460 2.926 1.00 0.00 C ATOM 1194 C ILE A 74 -1.515 10.038 3.190 1.00 0.00 C ATOM 1195 O ILE A 74 -2.525 9.349 3.051 1.00 0.00 O ATOM 1196 CB ILE A 74 0.371 8.703 4.179 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.575 7.831 3.820 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.739 7.850 4.780 1.00 0.00 C ATOM 1199 CD1 ILE A 74 2.162 7.094 5.004 1.00 0.00 C ATOM 0 H ILE A 74 1.481 10.761 3.245 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.182 8.749 2.102 1.00 0.00 H new ATOM 0 HB ILE A 74 0.674 9.438 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.276 7.106 3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.347 8.458 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.361 7.328 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.574 8.489 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.077 7.121 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.012 6.496 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.493 7.814 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.405 6.441 5.438 1.00 0.00 H new ATOM 1211 N ALA A 75 -1.553 11.313 3.563 1.00 0.00 N ATOM 1212 CA ALA A 75 -2.813 11.989 3.836 1.00 0.00 C ATOM 1213 C ALA A 75 -3.616 12.159 2.560 1.00 0.00 C ATOM 1214 O ALA A 75 -4.828 11.942 2.538 1.00 0.00 O ATOM 1215 CB ALA A 75 -2.565 13.336 4.498 1.00 0.00 C ATOM 0 H ALA A 75 -0.726 11.897 3.683 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.391 11.372 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.519 13.826 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.033 13.187 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.965 13.961 3.837 1.00 0.00 H new ATOM 1221 N SER A 76 -2.926 12.527 1.494 1.00 0.00 N ATOM 1222 CA SER A 76 -3.567 12.705 0.198 1.00 0.00 C ATOM 1223 C SER A 76 -3.986 11.356 -0.358 1.00 0.00 C ATOM 1224 O SER A 76 -4.978 11.244 -1.078 1.00 0.00 O ATOM 1225 CB SER A 76 -2.626 13.414 -0.778 1.00 0.00 C ATOM 1226 OG SER A 76 -3.348 14.244 -1.671 1.00 0.00 O ATOM 0 H SER A 76 -1.922 12.709 1.498 1.00 0.00 H new ATOM 0 HA SER A 76 -4.452 13.327 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.905 14.013 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.058 12.674 -1.343 1.00 0.00 H new ATOM 0 HG SER A 76 -2.724 14.687 -2.283 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.232 10.329 0.006 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.526 8.975 -0.428 1.00 0.00 C ATOM 1234 C LEU A 77 -4.848 8.519 0.172 1.00 0.00 C ATOM 1235 O LEU A 77 -5.573 7.722 -0.422 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.395 8.028 -0.015 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.693 6.536 -0.179 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.519 6.113 -1.629 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.794 5.715 0.730 1.00 0.00 C ATOM 0 H LEU A 77 -2.409 10.410 0.603 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.607 8.958 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.509 8.270 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.148 8.219 1.029 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.729 6.356 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.735 5.049 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.204 6.681 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.493 6.305 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.017 4.656 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.751 5.899 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.968 6.000 1.768 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.157 9.044 1.351 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.396 8.707 2.035 1.00 0.00 C ATOM 1253 C ARG A 78 -7.599 9.121 1.199 1.00 0.00 C ATOM 1254 O ARG A 78 -8.678 8.540 1.312 1.00 0.00 O ATOM 1255 CB ARG A 78 -6.451 9.386 3.405 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.279 8.626 4.429 1.00 0.00 C ATOM 1257 CD ARG A 78 -6.572 8.547 5.772 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.483 8.171 6.851 1.00 0.00 N ATOM 1259 CZ ARG A 78 -7.202 8.320 8.144 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -6.038 8.835 8.522 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -8.086 7.953 9.061 1.00 0.00 N ATOM 0 H ARG A 78 -4.565 9.706 1.853 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.425 7.627 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.436 9.502 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.864 10.388 3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.244 9.116 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.478 7.619 4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.762 7.820 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.119 9.512 6.000 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.387 7.771 6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.354 9.119 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.828 8.947 9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.982 7.556 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.871 8.067 10.051 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.405 10.129 0.356 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.475 10.619 -0.503 1.00 0.00 C ATOM 1277 C LYS A 79 -8.764 9.638 -1.626 1.00 0.00 C ATOM 1278 O LYS A 79 -9.895 9.181 -1.796 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.113 11.989 -1.082 1.00 0.00 C ATOM 1280 CG LYS A 79 -8.366 13.140 -0.122 1.00 0.00 C ATOM 1281 CD LYS A 79 -7.300 14.217 -0.249 1.00 0.00 C ATOM 1282 CE LYS A 79 -7.195 15.049 1.019 1.00 0.00 C ATOM 1283 NZ LYS A 79 -6.832 14.218 2.200 1.00 0.00 N ATOM 0 H LYS A 79 -6.518 10.622 0.250 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.374 10.719 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.061 11.988 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.689 12.153 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.347 13.572 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.385 12.764 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.337 13.754 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.535 14.866 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.447 15.829 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.146 15.549 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.397 14.820 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.688 13.771 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.157 13.481 1.912 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.734 9.320 -2.386 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.861 8.391 -3.498 1.00 0.00 C ATOM 1299 C LYS A 80 -8.019 6.965 -2.995 1.00 0.00 C ATOM 1300 O LYS A 80 -8.958 6.259 -3.364 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.645 8.489 -4.420 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.528 9.827 -5.134 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.503 10.731 -4.465 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.598 11.401 -5.486 1.00 0.00 C ATOM 1305 NZ LYS A 80 -4.334 12.826 -5.144 1.00 0.00 N ATOM 0 H LYS A 80 -6.794 9.693 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.754 8.661 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.741 8.319 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.698 7.693 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.245 9.662 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.499 10.321 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.017 11.492 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.899 10.146 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.653 10.861 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.059 11.344 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.713 13.247 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.233 13.348 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.871 12.880 -4.214 1.00 0.00 H new ATOM 1319 N LEU A 81 -7.091 6.556 -2.149 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.106 5.214 -1.577 1.00 0.00 C ATOM 1321 C LEU A 81 -8.290 5.037 -0.630 1.00 0.00 C ATOM 1322 O LEU A 81 -9.232 4.304 -0.930 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.795 4.939 -0.831 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.557 3.485 -0.383 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.601 2.535 -0.955 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.160 3.033 -0.779 1.00 0.00 C ATOM 0 H LEU A 81 -6.311 7.135 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.208 4.500 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.967 5.239 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.763 5.578 0.051 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.649 3.458 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.395 1.520 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.592 2.838 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.564 2.566 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.005 2.003 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.051 3.094 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.421 3.677 -0.303 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.232 5.710 0.515 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.303 5.608 1.489 1.00 0.00 C ATOM 1340 C GLY A 82 -9.115 4.436 2.433 1.00 0.00 C ATOM 1341 O GLY A 82 -9.149 4.600 3.653 1.00 0.00 O ATOM 0 H GLY A 82 -7.463 6.323 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.355 6.531 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.255 5.503 0.969 1.00 0.00 H new ATOM 1345 N ALA A 83 -8.916 3.250 1.867 1.00 0.00 N ATOM 1346 CA ALA A 83 -8.720 2.044 2.662 1.00 0.00 C ATOM 1347 C ALA A 83 -7.409 2.094 3.426 1.00 0.00 C ATOM 1348 O ALA A 83 -7.386 2.215 4.650 1.00 0.00 O ATOM 1349 CB ALA A 83 -8.769 0.811 1.770 1.00 0.00 C ATOM 0 H ALA A 83 -8.886 3.099 0.859 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.529 1.985 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.621 -0.083 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.739 0.758 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.982 0.874 1.019 1.00 0.00 H new ATOM 1355 N TYR A 84 -6.325 1.997 2.684 1.00 0.00 N ATOM 1356 CA TYR A 84 -4.983 2.025 3.261 1.00 0.00 C ATOM 1357 C TYR A 84 -4.800 3.238 4.164 1.00 0.00 C ATOM 1358 O TYR A 84 -4.153 3.153 5.207 1.00 0.00 O ATOM 1359 CB TYR A 84 -3.928 2.048 2.159 1.00 0.00 C ATOM 1360 CG TYR A 84 -2.511 1.999 2.679 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -1.912 0.792 3.011 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -1.771 3.164 2.833 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -0.616 0.748 3.483 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -0.473 3.128 3.303 1.00 0.00 C ATOM 1365 CZ TYR A 84 0.100 1.918 3.627 1.00 0.00 C ATOM 1366 OH TYR A 84 1.393 1.878 4.095 1.00 0.00 O ATOM 0 H TYR A 84 -6.341 1.897 1.669 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.861 1.122 3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.091 1.201 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.057 2.951 1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.468 -0.127 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.218 4.114 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.164 -0.199 3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.089 4.043 3.416 1.00 0.00 H new ATOM 0 HH TYR A 84 1.542 2.627 4.709 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.379 4.367 3.760 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.269 5.578 4.553 1.00 0.00 C ATOM 1378 C GLY A 85 -5.576 5.327 6.014 1.00 0.00 C ATOM 1379 O GLY A 85 -4.909 5.859 6.901 1.00 0.00 O ATOM 0 H GLY A 85 -5.920 4.464 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.262 5.983 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.954 6.331 4.162 1.00 0.00 H new ATOM 1383 N SER A 86 -6.582 4.496 6.258 1.00 0.00 N ATOM 1384 CA SER A 86 -6.976 4.147 7.614 1.00 0.00 C ATOM 1385 C SER A 86 -6.213 2.913 8.086 1.00 0.00 C ATOM 1386 O SER A 86 -6.096 2.663 9.286 1.00 0.00 O ATOM 1387 CB SER A 86 -8.484 3.894 7.683 1.00 0.00 C ATOM 1388 OG SER A 86 -9.163 5.009 8.234 1.00 0.00 O ATOM 0 H SER A 86 -7.141 4.051 5.530 1.00 0.00 H new ATOM 0 HA SER A 86 -6.732 4.982 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.868 3.688 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.680 3.009 8.288 1.00 0.00 H new ATOM 0 HG SER A 86 -10.125 4.823 8.266 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.693 2.144 7.131 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.938 0.937 7.444 1.00 0.00 C ATOM 1396 C ARG A 87 -3.754 1.254 8.352 1.00 0.00 C ATOM 1397 O ARG A 87 -3.347 0.425 9.167 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.446 0.271 6.157 1.00 0.00 C ATOM 1399 CG ARG A 87 -3.782 -1.077 6.384 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.522 -1.800 5.071 1.00 0.00 C ATOM 1401 NE ARG A 87 -4.664 -1.722 4.164 1.00 0.00 N ATOM 1402 CZ ARG A 87 -5.807 -2.379 4.351 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -5.963 -3.164 5.410 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -6.796 -2.250 3.478 1.00 0.00 N ATOM 0 H ARG A 87 -5.782 2.338 6.134 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.601 0.250 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.290 0.141 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.739 0.936 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.841 -0.935 6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.417 -1.694 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.646 -1.368 4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.291 -2.846 5.273 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.581 -1.129 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.205 -3.266 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.841 -3.665 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.681 -1.647 2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.672 -2.753 3.621 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.206 2.458 8.213 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.074 2.876 9.028 1.00 0.00 C ATOM 1420 C ILE A 88 -2.500 3.088 10.478 1.00 0.00 C ATOM 1421 O ILE A 88 -2.884 4.191 10.866 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.428 4.176 8.497 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.461 5.065 7.798 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.276 3.856 7.555 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.024 6.508 7.664 1.00 0.00 C ATOM 0 H ILE A 88 -3.528 3.158 7.545 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.336 2.075 8.974 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.036 4.726 9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.664 4.662 6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.397 5.027 8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.166 4.784 7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.480 3.278 8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.647 3.276 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.804 7.079 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.849 6.929 8.654 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.104 6.557 7.081 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.435 2.024 11.275 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.819 2.097 12.681 1.00 0.00 C ATOM 1439 C VAL A 89 -1.744 2.788 13.513 1.00 0.00 C ATOM 1440 O VAL A 89 -0.703 2.202 13.809 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.083 0.697 13.266 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.669 0.803 14.665 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.003 -0.099 12.353 1.00 0.00 C ATOM 0 H VAL A 89 -2.120 1.103 10.971 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.738 2.681 12.725 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.132 0.168 13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.848 -0.197 15.061 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.969 1.330 15.314 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.610 1.352 14.625 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.178 -1.085 12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.953 0.425 12.248 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.538 -0.208 11.373 1.00 0.00 H new ATOM 1453 N THR A 90 -2.006 4.035 13.891 1.00 0.00 N ATOM 1454 CA THR A 90 -1.062 4.804 14.694 1.00 0.00 C ATOM 1455 C THR A 90 -1.220 4.481 16.176 1.00 0.00 C ATOM 1456 O THR A 90 -1.847 5.234 16.922 1.00 0.00 O ATOM 1457 CB THR A 90 -1.266 6.302 14.462 1.00 0.00 C ATOM 1458 OG1 THR A 90 -0.484 7.061 15.368 1.00 0.00 O ATOM 1459 CG2 THR A 90 -2.706 6.742 14.619 1.00 0.00 C ATOM 0 H THR A 90 -2.863 4.534 13.654 1.00 0.00 H new ATOM 0 HA THR A 90 -0.053 4.530 14.386 1.00 0.00 H new ATOM 0 HB THR A 90 -0.959 6.479 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.024 7.738 14.874 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.780 7.815 14.441 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.329 6.211 13.899 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.047 6.517 15.630 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.650 3.357 16.596 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.729 2.933 17.989 1.00 0.00 C ATOM 1469 C LEU A 91 0.112 3.840 18.884 1.00 0.00 C ATOM 1470 O LEU A 91 1.334 3.894 18.754 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.265 1.480 18.129 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.355 0.489 18.540 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.087 -0.880 17.935 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.446 0.397 20.056 1.00 0.00 C ATOM 0 H LEU A 91 -0.128 2.723 15.991 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.769 3.006 18.307 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.159 1.157 17.178 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.537 1.440 18.866 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.311 0.850 18.160 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.873 -1.572 18.238 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.073 -0.801 16.848 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.123 -1.250 18.284 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.226 -0.312 20.331 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.491 0.060 20.458 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.686 1.378 20.466 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.552 4.548 19.792 1.00 0.00 N ATOM 1487 CA ARG A 92 0.137 5.449 20.709 1.00 0.00 C ATOM 1488 C ARG A 92 0.964 4.661 21.721 1.00 0.00 C ATOM 1489 O ARG A 92 0.549 4.470 22.864 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.873 6.344 21.434 1.00 0.00 C ATOM 1491 CG ARG A 92 -0.764 7.813 21.055 1.00 0.00 C ATOM 1492 CD ARG A 92 -1.895 8.240 20.131 1.00 0.00 C ATOM 1493 NE ARG A 92 -1.443 8.403 18.751 1.00 0.00 N ATOM 1494 CZ ARG A 92 -0.777 9.468 18.310 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -0.482 10.464 19.136 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -0.404 9.537 17.039 1.00 0.00 N ATOM 0 H ARG A 92 -1.564 4.515 19.912 1.00 0.00 H new ATOM 0 HA ARG A 92 0.812 6.078 20.128 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.881 5.994 21.213 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.729 6.243 22.510 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.781 8.424 21.957 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.193 7.993 20.566 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.692 7.497 20.166 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.319 9.179 20.487 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.650 7.657 18.087 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.766 10.416 20.115 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.029 11.277 18.792 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.627 8.774 16.400 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.106 10.353 16.701 1.00 0.00 H new ATOM 1510 N GLY A 93 2.136 4.206 21.292 1.00 0.00 N ATOM 1511 CA GLY A 93 3.002 3.443 22.170 1.00 0.00 C ATOM 1512 C GLY A 93 3.760 2.356 21.433 1.00 0.00 C ATOM 1513 O GLY A 93 4.879 2.007 21.808 1.00 0.00 O ATOM 0 H GLY A 93 2.502 4.352 20.351 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.713 4.116 22.650 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.405 2.992 22.963 1.00 0.00 H new ATOM 1517 N VAL A 94 3.148 1.821 20.381 1.00 0.00 N ATOM 1518 CA VAL A 94 3.772 0.768 19.588 1.00 0.00 C ATOM 1519 C VAL A 94 4.410 1.340 18.328 1.00 0.00 C ATOM 1520 O VAL A 94 5.612 1.197 18.107 1.00 0.00 O ATOM 1521 CB VAL A 94 2.757 -0.321 19.181 1.00 0.00 C ATOM 1522 CG1 VAL A 94 3.468 -1.638 18.913 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.686 -0.496 20.249 1.00 0.00 C ATOM 0 H VAL A 94 2.221 2.099 20.058 1.00 0.00 H new ATOM 0 HA VAL A 94 4.539 0.317 20.217 1.00 0.00 H new ATOM 0 HB VAL A 94 2.266 -0.000 18.262 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.737 -2.394 18.627 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.188 -1.505 18.105 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.990 -1.960 19.814 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.984 -1.269 19.937 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.154 -0.789 21.189 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.152 0.444 20.387 1.00 0.00 H new ATOM 1533 N GLY A 95 3.594 1.990 17.504 1.00 0.00 N ATOM 1534 CA GLY A 95 4.093 2.576 16.274 1.00 0.00 C ATOM 1535 C GLY A 95 3.038 2.628 15.188 1.00 0.00 C ATOM 1536 O GLY A 95 2.014 3.295 15.339 1.00 0.00 O ATOM 0 H GLY A 95 2.596 2.121 17.667 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.453 3.585 16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.947 1.998 15.920 1.00 0.00 H new ATOM 1540 N TYR A 96 3.287 1.923 14.091 1.00 0.00 N ATOM 1541 CA TYR A 96 2.350 1.891 12.975 1.00 0.00 C ATOM 1542 C TYR A 96 1.992 0.455 12.608 1.00 0.00 C ATOM 1543 O TYR A 96 2.803 -0.267 12.028 1.00 0.00 O ATOM 1544 CB TYR A 96 2.946 2.609 11.762 1.00 0.00 C ATOM 1545 CG TYR A 96 2.246 3.905 11.419 1.00 0.00 C ATOM 1546 CD1 TYR A 96 1.875 4.799 12.416 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.959 4.235 10.101 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.236 5.986 12.108 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.321 5.420 9.785 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.962 6.291 10.792 1.00 0.00 C ATOM 1551 OH TYR A 96 0.327 7.471 10.481 1.00 0.00 O ATOM 0 H TYR A 96 4.130 1.366 13.950 1.00 0.00 H new ATOM 0 HA TYR A 96 1.439 2.406 13.281 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.999 2.815 11.954 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.903 1.944 10.900 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.089 4.563 13.448 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.239 3.555 9.310 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.953 6.670 12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.105 5.662 8.755 1.00 0.00 H new ATOM 0 HH TYR A 96 0.210 7.533 9.510 1.00 0.00 H new ATOM 1561 N LEU A 97 0.774 0.047 12.946 1.00 0.00 N ATOM 1562 CA LEU A 97 0.315 -1.304 12.646 1.00 0.00 C ATOM 1563 C LEU A 97 -0.652 -1.297 11.468 1.00 0.00 C ATOM 1564 O LEU A 97 -1.418 -0.352 11.284 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.357 -1.931 13.871 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.080 -3.258 13.605 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.566 -4.350 14.530 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.584 -3.089 13.760 1.00 0.00 C ATOM 0 H LEU A 97 0.089 0.630 13.426 1.00 0.00 H new ATOM 0 HA LEU A 97 1.186 -1.903 12.379 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.400 -2.094 14.638 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.075 -1.219 14.278 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.872 -3.558 12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.094 -5.281 14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.502 -4.494 14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.737 -4.059 15.566 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.079 -4.041 13.567 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.811 -2.761 14.774 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.942 -2.344 13.049 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.610 -2.360 10.677 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.482 -2.485 9.517 1.00 0.00 C ATOM 1582 C PHE A 98 -2.656 -3.405 9.843 1.00 0.00 C ATOM 1583 O PHE A 98 -2.580 -4.621 9.670 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.697 -3.012 8.311 1.00 0.00 C ATOM 1585 CG PHE A 98 0.771 -2.658 8.330 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.202 -1.446 8.851 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.720 -3.538 7.829 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.545 -1.120 8.872 1.00 0.00 C ATOM 1589 CE2 PHE A 98 3.064 -3.216 7.847 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.477 -2.006 8.369 1.00 0.00 C ATOM 0 H PHE A 98 0.020 -3.150 10.818 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.873 -1.500 9.262 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.798 -4.097 8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.144 -2.616 7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.478 -0.748 9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.404 -4.486 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.865 -0.173 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.791 -3.911 7.453 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.527 -1.753 8.384 1.00 0.00 H new ATOM 1600 N SER A 99 -3.732 -2.804 10.339 1.00 0.00 N ATOM 1601 CA SER A 99 -4.938 -3.536 10.731 1.00 0.00 C ATOM 1602 C SER A 99 -5.287 -4.666 9.760 1.00 0.00 C ATOM 1603 O SER A 99 -4.824 -4.696 8.620 1.00 0.00 O ATOM 1604 CB SER A 99 -6.118 -2.570 10.850 1.00 0.00 C ATOM 1605 OG SER A 99 -6.794 -2.427 9.612 1.00 0.00 O ATOM 0 H SER A 99 -3.796 -1.796 10.482 1.00 0.00 H new ATOM 0 HA SER A 99 -4.732 -3.997 11.697 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.813 -2.934 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.761 -1.597 11.186 1.00 0.00 H new ATOM 0 HG SER A 99 -7.319 -1.599 9.620 1.00 0.00 H new ATOM 1611 N ASP A 100 -6.115 -5.592 10.240 1.00 0.00 N ATOM 1612 CA ASP A 100 -6.555 -6.742 9.452 1.00 0.00 C ATOM 1613 C ASP A 100 -7.656 -6.357 8.468 1.00 0.00 C ATOM 1614 O ASP A 100 -7.946 -7.099 7.533 1.00 0.00 O ATOM 1615 CB ASP A 100 -7.075 -7.828 10.387 1.00 0.00 C ATOM 1616 CG ASP A 100 -6.214 -9.076 10.367 1.00 0.00 C ATOM 1617 OD1 ASP A 100 -4.976 -8.942 10.271 1.00 0.00 O ATOM 1618 OD2 ASP A 100 -6.778 -10.188 10.447 1.00 0.00 O ATOM 0 H ASP A 100 -6.499 -5.567 11.184 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.701 -7.108 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.118 -7.437 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -8.094 -8.090 10.103 1.00 0.00 H new ATOM 1623 N ASP A 101 -8.270 -5.206 8.713 1.00 0.00 N ATOM 1624 CA ASP A 101 -9.364 -4.674 7.888 1.00 0.00 C ATOM 1625 C ASP A 101 -9.000 -4.574 6.397 1.00 0.00 C ATOM 1626 O ASP A 101 -9.149 -3.515 5.786 1.00 0.00 O ATOM 1627 CB ASP A 101 -9.788 -3.301 8.418 1.00 0.00 C ATOM 1628 CG ASP A 101 -11.085 -3.361 9.202 1.00 0.00 C ATOM 1629 OD1 ASP A 101 -11.048 -3.773 10.380 1.00 0.00 O ATOM 1630 OD2 ASP A 101 -12.137 -2.994 8.638 1.00 0.00 O ATOM 0 H ASP A 101 -8.024 -4.603 9.498 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.192 -5.379 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.999 -2.901 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.903 -2.611 7.582 1.00 0.00 H new ATOM 1635 N GLY A 102 -8.523 -5.670 5.815 1.00 0.00 N ATOM 1636 CA GLY A 102 -8.151 -5.670 4.412 1.00 0.00 C ATOM 1637 C GLY A 102 -6.894 -6.475 4.153 1.00 0.00 C ATOM 1638 O GLY A 102 -5.823 -5.916 3.923 1.00 0.00 O ATOM 0 H GLY A 102 -8.387 -6.561 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.970 -6.079 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.998 -4.644 4.078 1.00 0.00 H new ATOM 1642 N ASP A 103 -7.030 -7.798 4.200 1.00 0.00 N ATOM 1643 CA ASP A 103 -5.909 -8.696 3.978 1.00 0.00 C ATOM 1644 C ASP A 103 -5.746 -9.020 2.496 1.00 0.00 C ATOM 1645 O ASP A 103 -6.633 -8.746 1.688 1.00 0.00 O ATOM 1646 CB ASP A 103 -6.103 -9.988 4.776 1.00 0.00 C ATOM 1647 CG ASP A 103 -4.790 -10.647 5.147 1.00 0.00 C ATOM 1648 OD1 ASP A 103 -3.779 -10.388 4.461 1.00 0.00 O ATOM 1649 OD2 ASP A 103 -4.771 -11.424 6.126 1.00 0.00 O ATOM 0 H ASP A 103 -7.913 -8.271 4.391 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.003 -8.194 4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.665 -9.769 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.703 -10.685 4.191 1.00 0.00 H new ATOM 1654 N LYS A 104 -4.605 -9.608 2.150 1.00 0.00 N ATOM 1655 CA LYS A 104 -4.314 -9.976 0.778 1.00 0.00 C ATOM 1656 C LYS A 104 -5.325 -10.997 0.261 1.00 0.00 C ATOM 1657 O LYS A 104 -6.329 -11.275 0.916 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.900 -10.547 0.703 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.655 -11.702 1.660 1.00 0.00 C ATOM 1660 CD LYS A 104 -2.831 -13.046 0.969 1.00 0.00 C ATOM 1661 CE LYS A 104 -3.551 -14.044 1.863 1.00 0.00 C ATOM 1662 NZ LYS A 104 -4.638 -14.758 1.137 1.00 0.00 N ATOM 0 H LYS A 104 -3.864 -9.839 2.811 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.385 -9.088 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.707 -10.884 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.185 -9.752 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.647 -11.631 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.344 -11.631 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.395 -12.910 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.855 -13.444 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.834 -14.769 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.971 -13.523 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.231 -15.273 1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.222 -14.069 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.221 -15.432 0.463 1.00 0.00 H new ATOM 1676 N LYS A 105 -5.053 -11.553 -0.916 1.00 0.00 N ATOM 1677 CA LYS A 105 -5.934 -12.539 -1.515 1.00 0.00 C ATOM 1678 C LYS A 105 -5.133 -13.630 -2.219 1.00 0.00 C ATOM 1679 O LYS A 105 -4.363 -13.353 -3.139 1.00 0.00 O ATOM 1680 CB LYS A 105 -6.890 -11.870 -2.504 1.00 0.00 C ATOM 1681 CG LYS A 105 -8.256 -12.535 -2.575 1.00 0.00 C ATOM 1682 CD LYS A 105 -8.923 -12.591 -1.209 1.00 0.00 C ATOM 1683 CE LYS A 105 -9.160 -14.024 -0.760 1.00 0.00 C ATOM 1684 NZ LYS A 105 -10.425 -14.578 -1.316 1.00 0.00 N ATOM 0 H LYS A 105 -4.226 -11.334 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.516 -13.000 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.018 -10.825 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.438 -11.880 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.893 -11.987 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.149 -13.545 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.298 -12.078 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.873 -12.059 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.322 -14.646 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.195 -14.062 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.550 -15.556 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.228 -14.000 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.382 -14.565 -2.355 1.00 0.00 H new ATOM 1698 N PHE A 106 -5.319 -14.870 -1.778 1.00 0.00 N ATOM 1699 CA PHE A 106 -4.613 -16.004 -2.364 1.00 0.00 C ATOM 1700 C PHE A 106 -4.942 -16.145 -3.846 1.00 0.00 C ATOM 1701 O PHE A 106 -6.014 -15.741 -4.296 1.00 0.00 O ATOM 1702 CB PHE A 106 -4.976 -17.293 -1.624 1.00 0.00 C ATOM 1703 CG PHE A 106 -3.826 -18.250 -1.485 1.00 0.00 C ATOM 1704 CD1 PHE A 106 -2.656 -17.861 -0.852 1.00 0.00 C ATOM 1705 CD2 PHE A 106 -3.915 -19.538 -1.988 1.00 0.00 C ATOM 1706 CE1 PHE A 106 -1.597 -18.739 -0.722 1.00 0.00 C ATOM 1707 CE2 PHE A 106 -2.859 -20.420 -1.861 1.00 0.00 C ATOM 1708 CZ PHE A 106 -1.698 -20.020 -1.228 1.00 0.00 C ATOM 0 H PHE A 106 -5.952 -15.115 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 106 -3.543 -15.824 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -5.349 -17.040 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.789 -17.789 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.571 -16.860 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.820 -19.856 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.691 -18.424 -0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.941 -21.422 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.871 -20.708 -1.129 1.00 0.00 H new ATOM 1718 N SER A 107 -4.013 -16.725 -4.599 1.00 0.00 N ATOM 1719 CA SER A 107 -4.201 -16.924 -6.027 1.00 0.00 C ATOM 1720 C SER A 107 -3.449 -18.161 -6.507 1.00 0.00 C ATOM 1721 O SER A 107 -2.625 -18.718 -5.783 1.00 0.00 O ATOM 1722 CB SER A 107 -3.735 -15.691 -6.804 1.00 0.00 C ATOM 1723 OG SER A 107 -4.237 -15.703 -8.129 1.00 0.00 O ATOM 0 H SER A 107 -3.121 -17.065 -4.240 1.00 0.00 H new ATOM 0 HA SER A 107 -5.265 -17.075 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.069 -14.788 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.646 -15.661 -6.825 1.00 0.00 H new ATOM 0 HG SER A 107 -3.926 -14.904 -8.604 1.00 0.00 H new ATOM 1729 N GLN A 108 -3.737 -18.584 -7.734 1.00 0.00 N ATOM 1730 CA GLN A 108 -3.087 -19.755 -8.310 1.00 0.00 C ATOM 1731 C GLN A 108 -1.576 -19.554 -8.387 1.00 0.00 C ATOM 1732 O GLN A 108 -0.825 -20.107 -7.584 1.00 0.00 O ATOM 1733 CB GLN A 108 -3.651 -20.042 -9.704 1.00 0.00 C ATOM 1734 CG GLN A 108 -4.618 -21.215 -9.739 1.00 0.00 C ATOM 1735 CD GLN A 108 -6.002 -20.817 -10.213 1.00 0.00 C ATOM 1736 OE1 GLN A 108 -6.888 -20.530 -9.408 1.00 0.00 O ATOM 1737 NE2 GLN A 108 -6.195 -20.799 -11.527 1.00 0.00 N ATOM 0 H GLN A 108 -4.416 -18.133 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 108 -3.288 -20.609 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -4.160 -19.151 -10.071 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -2.825 -20.242 -10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -4.221 -21.988 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -4.691 -21.651 -8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.432 -21.044 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.106 -20.540 -11.905 1.00 0.00 H new ATOM 1746 N GLN A 109 -1.138 -18.759 -9.358 1.00 0.00 N ATOM 1747 CA GLN A 109 0.282 -18.485 -9.539 1.00 0.00 C ATOM 1748 C GLN A 109 0.858 -17.775 -8.317 1.00 0.00 C ATOM 1749 O GLN A 109 0.183 -17.620 -7.300 1.00 0.00 O ATOM 1750 CB GLN A 109 0.502 -17.635 -10.793 1.00 0.00 C ATOM 1751 CG GLN A 109 1.255 -18.362 -11.895 1.00 0.00 C ATOM 1752 CD GLN A 109 0.568 -19.645 -12.321 1.00 0.00 C ATOM 1753 OE1 GLN A 109 -0.313 -19.635 -13.180 1.00 0.00 O ATOM 1754 NE2 GLN A 109 0.971 -20.758 -11.720 1.00 0.00 N ATOM 0 H GLN A 109 -1.747 -18.293 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 109 0.800 -19.436 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.465 -17.312 -11.177 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.053 -16.735 -10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.354 -17.703 -12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 109 2.264 -18.591 -11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 109 1.705 -20.719 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.546 -21.652 -11.965 1.00 0.00 H new ATOM 1763 N ASP A 110 2.112 -17.348 -8.426 1.00 0.00 N ATOM 1764 CA ASP A 110 2.782 -16.654 -7.332 1.00 0.00 C ATOM 1765 C ASP A 110 3.746 -15.607 -7.867 1.00 0.00 C ATOM 1766 O ASP A 110 3.519 -14.404 -7.734 1.00 0.00 O ATOM 1767 CB ASP A 110 3.530 -17.654 -6.448 1.00 0.00 C ATOM 1768 CG ASP A 110 3.328 -17.383 -4.970 1.00 0.00 C ATOM 1769 OD1 ASP A 110 3.801 -16.331 -4.490 1.00 0.00 O ATOM 1770 OD2 ASP A 110 2.697 -18.221 -4.293 1.00 0.00 O ATOM 0 H ASP A 110 2.685 -17.470 -9.261 1.00 0.00 H new ATOM 0 HA ASP A 110 2.024 -16.150 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.191 -18.664 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 110 4.594 -17.614 -6.680 1.00 0.00 H new ATOM 1775 N THR A 111 4.818 -16.081 -8.474 1.00 0.00 N ATOM 1776 CA THR A 111 5.833 -15.207 -9.042 1.00 0.00 C ATOM 1777 C THR A 111 6.671 -15.952 -10.076 1.00 0.00 C ATOM 1778 O THR A 111 7.440 -16.851 -9.735 1.00 0.00 O ATOM 1779 CB THR A 111 6.734 -14.647 -7.940 1.00 0.00 C ATOM 1780 OG1 THR A 111 6.879 -15.584 -6.888 1.00 0.00 O ATOM 1781 CG2 THR A 111 6.215 -13.359 -7.340 1.00 0.00 C ATOM 0 H THR A 111 5.011 -17.076 -8.588 1.00 0.00 H new ATOM 0 HA THR A 111 5.328 -14.378 -9.538 1.00 0.00 H new ATOM 0 HB THR A 111 7.690 -14.444 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.460 -15.209 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.901 -13.016 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.138 -12.600 -8.118 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.231 -13.531 -6.903 1.00 0.00 H new ATOM 1789 N LYS A 112 6.516 -15.572 -11.340 1.00 0.00 N ATOM 1790 CA LYS A 112 7.254 -16.200 -12.422 1.00 0.00 C ATOM 1791 C LYS A 112 7.921 -15.152 -13.308 1.00 0.00 C ATOM 1792 O LYS A 112 7.522 -14.948 -14.455 1.00 0.00 O ATOM 1793 CB LYS A 112 6.326 -17.084 -13.258 1.00 0.00 C ATOM 1794 CG LYS A 112 6.288 -18.531 -12.797 1.00 0.00 C ATOM 1795 CD LYS A 112 5.516 -19.406 -13.772 1.00 0.00 C ATOM 1796 CE LYS A 112 6.448 -20.153 -14.714 1.00 0.00 C ATOM 1797 NZ LYS A 112 6.370 -21.627 -14.520 1.00 0.00 N ATOM 0 H LYS A 112 5.883 -14.830 -11.637 1.00 0.00 H new ATOM 0 HA LYS A 112 8.033 -16.823 -11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.317 -16.673 -13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.647 -17.051 -14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.305 -18.908 -12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.826 -18.588 -11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.909 -20.121 -13.217 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.831 -18.788 -14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.194 -19.909 -15.745 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.473 -19.819 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.020 -22.099 -15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.637 -21.863 -13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.398 -21.950 -14.701 1.00 0.00 H new ATOM 1811 N LEU A 113 8.939 -14.491 -12.768 1.00 0.00 N ATOM 1812 CA LEU A 113 9.663 -13.465 -13.507 1.00 0.00 C ATOM 1813 C LEU A 113 10.357 -14.061 -14.727 1.00 0.00 C ATOM 1814 O LEU A 113 11.547 -14.376 -14.684 1.00 0.00 O ATOM 1815 CB LEU A 113 10.691 -12.784 -12.602 1.00 0.00 C ATOM 1816 CG LEU A 113 10.144 -11.644 -11.742 1.00 0.00 C ATOM 1817 CD1 LEU A 113 9.740 -10.465 -12.614 1.00 0.00 C ATOM 1818 CD2 LEU A 113 8.964 -12.123 -10.910 1.00 0.00 C ATOM 0 H LEU A 113 9.281 -14.648 -11.820 1.00 0.00 H new ATOM 0 HA LEU A 113 8.942 -12.722 -13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.129 -13.536 -11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.498 -12.395 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 113 10.931 -11.315 -11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.353 -9.663 -11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.609 -10.106 -13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.968 -10.780 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.587 -11.299 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.173 -12.478 -11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.285 -12.936 -10.258 1.00 0.00 H new ATOM 1830 N SER A 114 9.608 -14.214 -15.814 1.00 0.00 N ATOM 1831 CA SER A 114 10.152 -14.773 -17.047 1.00 0.00 C ATOM 1832 C SER A 114 11.347 -13.959 -17.534 1.00 0.00 C ATOM 1833 O SER A 114 11.507 -12.794 -17.169 1.00 0.00 O ATOM 1834 CB SER A 114 9.074 -14.818 -18.131 1.00 0.00 C ATOM 1835 OG SER A 114 9.639 -15.095 -19.401 1.00 0.00 O ATOM 0 H SER A 114 8.622 -13.959 -15.866 1.00 0.00 H new ATOM 0 HA SER A 114 10.489 -15.788 -16.838 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.336 -15.581 -17.883 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.547 -13.864 -18.164 1.00 0.00 H new ATOM 0 HG SER A 114 8.929 -15.120 -20.076 1.00 0.00 H new ATOM 1841 N LEU A 115 12.182 -14.580 -18.360 1.00 0.00 N ATOM 1842 CA LEU A 115 13.357 -13.924 -18.898 1.00 0.00 C ATOM 1843 C LEU A 115 12.972 -12.691 -19.710 1.00 0.00 C ATOM 1844 O LEU A 115 13.575 -11.628 -19.567 1.00 0.00 O ATOM 1845 CB LEU A 115 14.131 -14.907 -19.771 1.00 0.00 C ATOM 1846 CG LEU A 115 14.475 -16.240 -19.102 1.00 0.00 C ATOM 1847 CD1 LEU A 115 14.999 -17.232 -20.128 1.00 0.00 C ATOM 1848 CD2 LEU A 115 15.495 -16.029 -17.993 1.00 0.00 C ATOM 0 H LEU A 115 12.061 -15.544 -18.670 1.00 0.00 H new ATOM 0 HA LEU A 115 13.985 -13.598 -18.069 1.00 0.00 H new ATOM 0 HB2 LEU A 115 13.547 -15.109 -20.669 1.00 0.00 H new ATOM 0 HB3 LEU A 115 15.057 -14.431 -20.094 1.00 0.00 H new ATOM 0 HG LEU A 115 13.566 -16.651 -18.662 1.00 0.00 H new ATOM 0 HD11 LEU A 115 15.238 -18.174 -19.634 1.00 0.00 H new ATOM 0 HD12 LEU A 115 14.238 -17.404 -20.889 1.00 0.00 H new ATOM 0 HD13 LEU A 115 15.897 -16.830 -20.597 1.00 0.00 H new ATOM 0 HD21 LEU A 115 15.729 -16.986 -17.527 1.00 0.00 H new ATOM 0 HD22 LEU A 115 16.404 -15.597 -18.412 1.00 0.00 H new ATOM 0 HD23 LEU A 115 15.084 -15.352 -17.244 1.00 0.00 H new ATOM 1860 N GLU A 116 11.964 -12.843 -20.563 1.00 0.00 N ATOM 1861 CA GLU A 116 11.497 -11.742 -21.398 1.00 0.00 C ATOM 1862 C GLU A 116 10.013 -11.892 -21.716 1.00 0.00 C ATOM 1863 O GLU A 116 9.247 -10.950 -21.420 1.00 0.00 O ATOM 1864 CB GLU A 116 12.306 -11.682 -22.696 1.00 0.00 C ATOM 1865 CG GLU A 116 12.648 -10.267 -23.133 1.00 0.00 C ATOM 1866 CD GLU A 116 11.582 -9.659 -24.024 1.00 0.00 C ATOM 1867 OE1 GLU A 116 10.536 -9.232 -23.490 1.00 0.00 O ATOM 1868 OE2 GLU A 116 11.792 -9.610 -25.254 1.00 0.00 O ATOM 0 H GLU A 116 11.455 -13.717 -20.694 1.00 0.00 H new ATOM 0 HA GLU A 116 11.639 -10.813 -20.846 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.229 -12.247 -22.566 1.00 0.00 H new ATOM 0 HB3 GLU A 116 11.742 -12.172 -23.489 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.780 -9.640 -22.251 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.600 -10.275 -23.664 1.00 0.00 H new TER 1875 GLU A 116