USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 702 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.693 K(o=0.69,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.029 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 1.06 USER MOD Single : A 11 GLN : amide:sc=-0.00885 X(o=-0.0089,f=-0.12) USER MOD Single : A 17 ASN : amide:sc= -3.67 K(o=-3.7,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -2.07 USER MOD Single : A 27 ASN : amide:sc=-0.000846 X(o=-0.00085,f=0) USER MOD Single : A 34 TYR OH : rot -21:sc= 0.244 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= 0.0702 F(o=-0.95,f=0.07) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 152:sc= 1.82 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 150:sc= -1.42 (180deg=-2.24!) USER MOD Single : A 82 ASN : amide:sc= 0.0135 X(o=0.014,f=-0.48) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 57:sc= 0.669 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.442 14.433 -8.974 1.00 0.00 N ATOM 2 CA GLY A 1 2.982 13.320 -9.787 1.00 0.00 C ATOM 3 C GLY A 1 1.505 13.480 -10.151 1.00 0.00 C ATOM 4 O GLY A 1 0.721 14.004 -9.362 1.00 0.00 O ATOM 0 H1 GLY A 1 4.165 14.099 -8.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.851 15.166 -9.588 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.640 14.832 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.580 13.258 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.128 12.385 -9.246 1.00 0.00 H new ATOM 8 N SER A 2 1.170 13.019 -11.347 1.00 0.00 N ATOM 9 CA SER A 2 -0.199 13.104 -11.825 1.00 0.00 C ATOM 10 C SER A 2 -0.323 12.410 -13.183 1.00 0.00 C ATOM 11 O SER A 2 0.062 12.972 -14.209 1.00 0.00 O ATOM 12 CB SER A 2 -0.657 14.560 -11.929 1.00 0.00 C ATOM 13 OG SER A 2 -1.895 14.780 -11.258 1.00 0.00 O ATOM 0 H SER A 2 1.823 12.585 -11.999 1.00 0.00 H new ATOM 0 HA SER A 2 -0.844 12.599 -11.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.107 15.211 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.760 14.833 -12.979 1.00 0.00 H new ATOM 0 HG SER A 2 -2.152 15.722 -11.346 1.00 0.00 H new ATOM 19 N SER A 3 -0.863 11.201 -13.148 1.00 0.00 N ATOM 20 CA SER A 3 -1.042 10.425 -14.363 1.00 0.00 C ATOM 21 C SER A 3 0.319 10.031 -14.937 1.00 0.00 C ATOM 22 O SER A 3 0.996 10.848 -15.558 1.00 0.00 O ATOM 23 CB SER A 3 -1.850 11.207 -15.401 1.00 0.00 C ATOM 24 OG SER A 3 -2.988 11.842 -14.824 1.00 0.00 O ATOM 0 H SER A 3 -1.183 10.739 -12.296 1.00 0.00 H new ATOM 0 HA SER A 3 -1.599 9.522 -14.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.212 11.959 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.174 10.531 -16.192 1.00 0.00 H new ATOM 0 HG SER A 3 -3.476 12.332 -15.518 1.00 0.00 H new ATOM 30 N GLY A 4 0.680 8.776 -14.710 1.00 0.00 N ATOM 31 CA GLY A 4 1.949 8.262 -15.198 1.00 0.00 C ATOM 32 C GLY A 4 2.806 7.734 -14.045 1.00 0.00 C ATOM 33 O GLY A 4 2.991 6.525 -13.908 1.00 0.00 O ATOM 0 H GLY A 4 0.116 8.100 -14.195 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.769 7.463 -15.918 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.487 9.051 -15.724 1.00 0.00 H new ATOM 37 N SER A 5 3.306 8.664 -13.246 1.00 0.00 N ATOM 38 CA SER A 5 4.138 8.307 -12.110 1.00 0.00 C ATOM 39 C SER A 5 3.260 7.951 -10.909 1.00 0.00 C ATOM 40 O SER A 5 3.172 6.786 -10.525 1.00 0.00 O ATOM 41 CB SER A 5 5.094 9.446 -11.749 1.00 0.00 C ATOM 42 OG SER A 5 5.946 9.103 -10.658 1.00 0.00 O ATOM 0 H SER A 5 3.151 9.665 -13.363 1.00 0.00 H new ATOM 0 HA SER A 5 4.737 7.438 -12.384 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.702 9.698 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.518 10.335 -11.493 1.00 0.00 H new ATOM 0 HG SER A 5 6.542 9.855 -10.459 1.00 0.00 H new ATOM 48 N SER A 6 2.632 8.976 -10.351 1.00 0.00 N ATOM 49 CA SER A 6 1.764 8.785 -9.201 1.00 0.00 C ATOM 50 C SER A 6 2.509 8.023 -8.103 1.00 0.00 C ATOM 51 O SER A 6 2.539 6.793 -8.107 1.00 0.00 O ATOM 52 CB SER A 6 0.488 8.038 -9.594 1.00 0.00 C ATOM 53 OG SER A 6 0.768 6.752 -10.141 1.00 0.00 O ATOM 0 H SER A 6 2.707 9.941 -10.674 1.00 0.00 H new ATOM 0 HA SER A 6 1.477 9.766 -8.822 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.152 7.928 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.068 8.628 -10.322 1.00 0.00 H new ATOM 0 HG SER A 6 1.653 6.455 -9.843 1.00 0.00 H new ATOM 59 N GLY A 7 3.091 8.784 -7.189 1.00 0.00 N ATOM 60 CA GLY A 7 3.834 8.197 -6.088 1.00 0.00 C ATOM 61 C GLY A 7 2.922 7.340 -5.207 1.00 0.00 C ATOM 62 O GLY A 7 3.239 6.188 -4.914 1.00 0.00 O ATOM 0 H GLY A 7 3.063 9.804 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.648 7.586 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.288 8.986 -5.489 1.00 0.00 H new ATOM 66 N LEU A 8 1.808 7.936 -4.809 1.00 0.00 N ATOM 67 CA LEU A 8 0.847 7.243 -3.968 1.00 0.00 C ATOM 68 C LEU A 8 0.652 5.818 -4.492 1.00 0.00 C ATOM 69 O LEU A 8 0.658 4.862 -3.718 1.00 0.00 O ATOM 70 CB LEU A 8 -0.452 8.043 -3.865 1.00 0.00 C ATOM 71 CG LEU A 8 -0.322 9.466 -3.317 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.527 10.320 -3.715 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.104 9.453 -1.802 1.00 0.00 C ATOM 0 H LEU A 8 1.549 8.892 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 8 1.224 7.160 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.902 8.096 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.145 7.492 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 8 0.559 9.925 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.409 11.326 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.595 10.369 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.437 9.874 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.015 10.477 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.951 8.968 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.809 8.905 -1.571 1.00 0.00 H new ATOM 85 N ARG A 9 0.483 5.722 -5.803 1.00 0.00 N ATOM 86 CA ARG A 9 0.287 4.431 -6.439 1.00 0.00 C ATOM 87 C ARG A 9 1.380 3.453 -6.004 1.00 0.00 C ATOM 88 O ARG A 9 1.086 2.355 -5.534 1.00 0.00 O ATOM 89 CB ARG A 9 0.303 4.559 -7.963 1.00 0.00 C ATOM 90 CG ARG A 9 -0.073 3.235 -8.630 1.00 0.00 C ATOM 91 CD ARG A 9 -1.526 3.254 -9.107 1.00 0.00 C ATOM 92 NE ARG A 9 -1.594 2.873 -10.536 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.394 3.726 -11.551 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.114 5.011 -11.301 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.476 3.291 -12.816 1.00 0.00 N ATOM 0 H ARG A 9 0.478 6.517 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.687 4.053 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.394 5.337 -8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.294 4.869 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.589 3.049 -9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.072 2.415 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.123 2.565 -8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.951 4.248 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.806 1.901 -10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.053 5.342 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.962 5.659 -12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.690 2.312 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.324 3.939 -13.589 1.00 0.00 H new ATOM 109 N GLU A 10 2.620 3.886 -6.178 1.00 0.00 N ATOM 110 CA GLU A 10 3.759 3.063 -5.810 1.00 0.00 C ATOM 111 C GLU A 10 3.794 2.851 -4.295 1.00 0.00 C ATOM 112 O GLU A 10 4.178 1.783 -3.822 1.00 0.00 O ATOM 113 CB GLU A 10 5.067 3.682 -6.307 1.00 0.00 C ATOM 114 CG GLU A 10 5.617 2.910 -7.508 1.00 0.00 C ATOM 115 CD GLU A 10 6.883 2.139 -7.131 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.865 1.510 -6.051 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.842 2.197 -7.932 1.00 0.00 O ATOM 0 H GLU A 10 2.861 4.797 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 10 3.650 2.091 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.899 4.722 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.802 3.682 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.861 2.217 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.837 3.603 -8.320 1.00 0.00 H new ATOM 124 N GLN A 11 3.388 3.887 -3.575 1.00 0.00 N ATOM 125 CA GLN A 11 3.368 3.828 -2.124 1.00 0.00 C ATOM 126 C GLN A 11 2.415 2.729 -1.650 1.00 0.00 C ATOM 127 O GLN A 11 2.815 1.833 -0.909 1.00 0.00 O ATOM 128 CB GLN A 11 2.983 5.183 -1.525 1.00 0.00 C ATOM 129 CG GLN A 11 4.041 6.242 -1.841 1.00 0.00 C ATOM 130 CD GLN A 11 4.166 7.249 -0.696 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.459 6.908 0.438 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.928 8.508 -1.054 1.00 0.00 N ATOM 0 H GLN A 11 3.070 4.772 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 11 4.372 3.586 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.018 5.499 -1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.869 5.088 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.003 5.760 -2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.776 6.763 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.687 8.726 -2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.986 9.255 -0.362 1.00 0.00 H new ATOM 141 N VAL A 12 1.172 2.834 -2.099 1.00 0.00 N ATOM 142 CA VAL A 12 0.159 1.860 -1.729 1.00 0.00 C ATOM 143 C VAL A 12 0.678 0.453 -2.031 1.00 0.00 C ATOM 144 O VAL A 12 0.489 -0.467 -1.236 1.00 0.00 O ATOM 145 CB VAL A 12 -1.157 2.178 -2.443 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.182 1.063 -2.224 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.712 3.530 -1.991 1.00 0.00 C ATOM 0 H VAL A 12 0.844 3.578 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.047 1.909 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.953 2.240 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.108 1.313 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.789 0.125 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.380 0.955 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.647 3.732 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.894 3.508 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.991 4.315 -2.221 1.00 0.00 H new ATOM 157 N LYS A 13 1.321 0.327 -3.183 1.00 0.00 N ATOM 158 CA LYS A 13 1.868 -0.953 -3.600 1.00 0.00 C ATOM 159 C LYS A 13 2.726 -1.528 -2.470 1.00 0.00 C ATOM 160 O LYS A 13 2.477 -2.637 -2.000 1.00 0.00 O ATOM 161 CB LYS A 13 2.616 -0.810 -4.927 1.00 0.00 C ATOM 162 CG LYS A 13 1.654 -0.928 -6.112 1.00 0.00 C ATOM 163 CD LYS A 13 2.394 -0.743 -7.439 1.00 0.00 C ATOM 164 CE LYS A 13 1.726 0.335 -8.294 1.00 0.00 C ATOM 165 NZ LYS A 13 1.880 0.025 -9.732 1.00 0.00 N ATOM 0 H LYS A 13 1.475 1.091 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 13 1.066 -1.667 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.124 0.154 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.385 -1.579 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.168 -1.904 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.867 -0.179 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.431 -0.468 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.411 -1.686 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.668 0.403 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.169 1.307 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.421 0.767 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.891 -0.017 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.436 -0.893 -9.939 1.00 0.00 H new ATOM 179 N GLU A 14 3.719 -0.748 -2.068 1.00 0.00 N ATOM 180 CA GLU A 14 4.615 -1.166 -1.004 1.00 0.00 C ATOM 181 C GLU A 14 3.826 -1.427 0.281 1.00 0.00 C ATOM 182 O GLU A 14 4.143 -2.349 1.032 1.00 0.00 O ATOM 183 CB GLU A 14 5.713 -0.126 -0.771 1.00 0.00 C ATOM 184 CG GLU A 14 6.979 -0.482 -1.552 1.00 0.00 C ATOM 185 CD GLU A 14 8.209 -0.462 -0.642 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.727 0.653 -0.413 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.603 -1.561 -0.197 1.00 0.00 O ATOM 0 H GLU A 14 3.922 0.171 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 14 5.099 -2.095 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.358 0.858 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.942 -0.066 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.869 -1.470 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.116 0.225 -2.371 1.00 0.00 H new ATOM 194 N LEU A 15 2.814 -0.598 0.496 1.00 0.00 N ATOM 195 CA LEU A 15 1.978 -0.728 1.677 1.00 0.00 C ATOM 196 C LEU A 15 1.422 -2.153 1.749 1.00 0.00 C ATOM 197 O LEU A 15 1.828 -2.939 2.603 1.00 0.00 O ATOM 198 CB LEU A 15 0.898 0.355 1.691 1.00 0.00 C ATOM 199 CG LEU A 15 -0.388 0.010 2.445 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.149 -0.005 3.957 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.523 0.958 2.055 1.00 0.00 C ATOM 0 H LEU A 15 2.555 0.166 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 15 2.567 -0.569 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.322 1.258 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.638 0.594 0.660 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.694 -0.995 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.078 -0.253 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.609 -0.751 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.193 0.978 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.425 0.691 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.241 1.983 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.713 0.877 0.985 1.00 0.00 H new ATOM 213 N PHE A 16 0.502 -2.440 0.841 1.00 0.00 N ATOM 214 CA PHE A 16 -0.115 -3.755 0.790 1.00 0.00 C ATOM 215 C PHE A 16 0.942 -4.859 0.871 1.00 0.00 C ATOM 216 O PHE A 16 0.701 -5.912 1.459 1.00 0.00 O ATOM 217 CB PHE A 16 -0.840 -3.858 -0.553 1.00 0.00 C ATOM 218 CG PHE A 16 -2.204 -3.166 -0.578 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.107 -3.406 0.411 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.514 -2.310 -1.588 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.373 -2.764 0.387 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.780 -1.668 -1.612 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.683 -1.908 -0.624 1.00 0.00 C ATOM 0 H PHE A 16 0.168 -1.785 0.134 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.797 -3.879 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.209 -3.424 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.973 -4.911 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.861 -4.085 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.797 -2.118 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.090 -2.955 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.026 -0.989 -2.415 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.646 -1.419 -0.642 1.00 0.00 H new ATOM 233 N ASN A 17 2.091 -4.580 0.271 1.00 0.00 N ATOM 234 CA ASN A 17 3.185 -5.537 0.268 1.00 0.00 C ATOM 235 C ASN A 17 3.767 -5.643 1.679 1.00 0.00 C ATOM 236 O ASN A 17 4.097 -6.736 2.137 1.00 0.00 O ATOM 237 CB ASN A 17 4.304 -5.089 -0.673 1.00 0.00 C ATOM 238 CG ASN A 17 3.845 -5.133 -2.132 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.675 -4.986 -2.446 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.828 -5.344 -3.003 1.00 0.00 N ATOM 0 H ASN A 17 2.288 -3.706 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 17 2.794 -6.497 -0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.616 -4.076 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.174 -5.733 -0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.624 -5.391 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.786 -5.459 -2.673 1.00 0.00 H new ATOM 247 N GLU A 18 3.875 -4.493 2.329 1.00 0.00 N ATOM 248 CA GLU A 18 4.412 -4.443 3.677 1.00 0.00 C ATOM 249 C GLU A 18 3.545 -5.276 4.625 1.00 0.00 C ATOM 250 O GLU A 18 4.063 -6.069 5.410 1.00 0.00 O ATOM 251 CB GLU A 18 4.529 -2.999 4.168 1.00 0.00 C ATOM 252 CG GLU A 18 5.766 -2.318 3.580 1.00 0.00 C ATOM 253 CD GLU A 18 6.379 -1.336 4.581 1.00 0.00 C ATOM 254 OE1 GLU A 18 5.927 -0.170 4.581 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.286 -1.773 5.322 1.00 0.00 O ATOM 0 H GLU A 18 3.599 -3.589 1.946 1.00 0.00 H new ATOM 0 HA GLU A 18 5.415 -4.869 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.635 -2.442 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.585 -2.985 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.504 -3.071 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.495 -1.789 2.666 1.00 0.00 H new ATOM 262 N LYS A 19 2.241 -5.066 4.520 1.00 0.00 N ATOM 263 CA LYS A 19 1.298 -5.788 5.358 1.00 0.00 C ATOM 264 C LYS A 19 1.476 -7.293 5.140 1.00 0.00 C ATOM 265 O LYS A 19 1.746 -8.031 6.084 1.00 0.00 O ATOM 266 CB LYS A 19 -0.128 -5.295 5.106 1.00 0.00 C ATOM 267 CG LYS A 19 -0.273 -3.820 5.484 1.00 0.00 C ATOM 268 CD LYS A 19 -0.305 -3.644 7.004 1.00 0.00 C ATOM 269 CE LYS A 19 0.175 -2.248 7.404 1.00 0.00 C ATOM 270 NZ LYS A 19 1.213 -2.337 8.455 1.00 0.00 N ATOM 0 H LYS A 19 1.815 -4.407 3.868 1.00 0.00 H new ATOM 0 HA LYS A 19 1.497 -5.592 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.383 -5.432 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.831 -5.893 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.557 -3.250 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.187 -3.417 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.319 -3.803 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.326 -4.398 7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.576 -1.731 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.667 -1.657 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.527 -1.380 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.819 -2.811 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.023 -2.882 8.098 1.00 0.00 H new ATOM 284 N TYR A 20 1.317 -7.700 3.889 1.00 0.00 N ATOM 285 CA TYR A 20 1.457 -9.102 3.535 1.00 0.00 C ATOM 286 C TYR A 20 2.668 -9.725 4.232 1.00 0.00 C ATOM 287 O TYR A 20 2.543 -10.741 4.913 1.00 0.00 O ATOM 288 CB TYR A 20 1.681 -9.135 2.023 1.00 0.00 C ATOM 289 CG TYR A 20 1.243 -10.442 1.357 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.010 -10.988 1.653 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.080 -11.074 0.462 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.401 -12.217 1.028 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.668 -12.303 -0.165 1.00 0.00 C ATOM 294 CZ TYR A 20 0.448 -12.815 0.149 1.00 0.00 C ATOM 295 OH TYR A 20 0.059 -13.976 -0.442 1.00 0.00 O ATOM 0 H TYR A 20 1.093 -7.083 3.108 1.00 0.00 H new ATOM 0 HA TYR A 20 0.574 -9.664 3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.138 -8.307 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.739 -8.972 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.646 -10.493 2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.045 -10.647 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.362 -12.655 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.314 -12.807 -0.869 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.905 -14.100 -0.317 1.00 0.00 H new ATOM 305 N GLY A 21 3.814 -9.090 4.037 1.00 0.00 N ATOM 306 CA GLY A 21 5.047 -9.569 4.637 1.00 0.00 C ATOM 307 C GLY A 21 4.863 -9.833 6.133 1.00 0.00 C ATOM 308 O GLY A 21 5.050 -10.957 6.597 1.00 0.00 O ATOM 0 H GLY A 21 3.915 -8.247 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.366 -10.485 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.838 -8.833 4.489 1.00 0.00 H new ATOM 312 N GLU A 22 4.497 -8.778 6.847 1.00 0.00 N ATOM 313 CA GLU A 22 4.283 -8.882 8.281 1.00 0.00 C ATOM 314 C GLU A 22 3.301 -10.013 8.590 1.00 0.00 C ATOM 315 O GLU A 22 3.525 -10.801 9.507 1.00 0.00 O ATOM 316 CB GLU A 22 3.793 -7.553 8.859 1.00 0.00 C ATOM 317 CG GLU A 22 4.713 -6.403 8.448 1.00 0.00 C ATOM 318 CD GLU A 22 4.938 -5.437 9.613 1.00 0.00 C ATOM 319 OE1 GLU A 22 4.008 -4.648 9.885 1.00 0.00 O ATOM 320 OE2 GLU A 22 6.036 -5.511 10.207 1.00 0.00 O ATOM 0 H GLU A 22 4.343 -7.847 6.459 1.00 0.00 H new ATOM 0 HA GLU A 22 5.236 -9.117 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.779 -7.354 8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.751 -7.619 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.670 -6.801 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.276 -5.867 7.605 1.00 0.00 H new ATOM 327 N ALA A 23 2.231 -10.055 7.809 1.00 0.00 N ATOM 328 CA ALA A 23 1.213 -11.076 7.988 1.00 0.00 C ATOM 329 C ALA A 23 1.822 -12.451 7.715 1.00 0.00 C ATOM 330 O ALA A 23 1.481 -13.429 8.380 1.00 0.00 O ATOM 331 CB ALA A 23 0.021 -10.774 7.077 1.00 0.00 C ATOM 0 H ALA A 23 2.047 -9.398 7.051 1.00 0.00 H new ATOM 0 HA ALA A 23 0.847 -11.077 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.743 -11.540 7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.394 -9.799 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.350 -10.768 6.038 1.00 0.00 H new ATOM 337 N LEU A 24 2.714 -12.485 6.736 1.00 0.00 N ATOM 338 CA LEU A 24 3.374 -13.725 6.366 1.00 0.00 C ATOM 339 C LEU A 24 4.326 -14.144 7.488 1.00 0.00 C ATOM 340 O LEU A 24 4.858 -15.254 7.474 1.00 0.00 O ATOM 341 CB LEU A 24 4.053 -13.585 5.003 1.00 0.00 C ATOM 342 CG LEU A 24 3.170 -13.858 3.782 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.812 -13.307 2.508 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.846 -15.348 3.663 1.00 0.00 C ATOM 0 H LEU A 24 2.995 -11.673 6.187 1.00 0.00 H new ATOM 0 HA LEU A 24 2.644 -14.526 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.451 -12.574 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.903 -14.266 4.971 1.00 0.00 H new ATOM 0 HG LEU A 24 2.225 -13.333 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.165 -13.514 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.949 -12.230 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.780 -13.784 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.218 -15.515 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.771 -15.914 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.317 -15.678 4.557 1.00 0.00 H new ATOM 356 N GLY A 25 4.514 -13.235 8.433 1.00 0.00 N ATOM 357 CA GLY A 25 5.394 -13.496 9.559 1.00 0.00 C ATOM 358 C GLY A 25 6.858 -13.274 9.175 1.00 0.00 C ATOM 359 O GLY A 25 7.762 -13.776 9.841 1.00 0.00 O ATOM 0 H GLY A 25 4.071 -12.316 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.130 -12.843 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.256 -14.521 9.903 1.00 0.00 H new ATOM 363 N LEU A 26 7.047 -12.520 8.101 1.00 0.00 N ATOM 364 CA LEU A 26 8.386 -12.225 7.620 1.00 0.00 C ATOM 365 C LEU A 26 8.786 -10.819 8.069 1.00 0.00 C ATOM 366 O LEU A 26 8.036 -10.155 8.784 1.00 0.00 O ATOM 367 CB LEU A 26 8.470 -12.435 6.108 1.00 0.00 C ATOM 368 CG LEU A 26 7.800 -13.701 5.567 1.00 0.00 C ATOM 369 CD1 LEU A 26 8.137 -13.911 4.090 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.163 -14.919 6.418 1.00 0.00 C ATOM 0 H LEU A 26 6.295 -12.105 7.551 1.00 0.00 H new ATOM 0 HA LEU A 26 9.108 -12.916 8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.021 -11.572 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.522 -12.454 5.822 1.00 0.00 H new ATOM 0 HG LEU A 26 6.720 -13.572 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.649 -14.817 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.787 -13.056 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.216 -14.010 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.674 -15.805 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.243 -15.063 6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.830 -14.759 7.444 1.00 0.00 H new ATOM 382 N ASN A 27 9.967 -10.406 7.632 1.00 0.00 N ATOM 383 CA ASN A 27 10.477 -9.091 7.981 1.00 0.00 C ATOM 384 C ASN A 27 10.707 -8.283 6.702 1.00 0.00 C ATOM 385 O ASN A 27 11.451 -7.303 6.708 1.00 0.00 O ATOM 386 CB ASN A 27 11.810 -9.195 8.722 1.00 0.00 C ATOM 387 CG ASN A 27 11.729 -8.526 10.095 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.570 -7.323 10.220 1.00 0.00 O ATOM 389 ND2 ASN A 27 11.845 -9.370 11.116 1.00 0.00 N ATOM 0 H ASN A 27 10.585 -10.959 7.039 1.00 0.00 H new ATOM 0 HA ASN A 27 9.745 -8.605 8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.083 -10.244 8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.596 -8.725 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.803 -9.021 12.074 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.976 -10.366 10.942 1.00 0.00 H new ATOM 396 N ARG A 28 10.057 -8.724 5.636 1.00 0.00 N ATOM 397 CA ARG A 28 10.182 -8.055 4.353 1.00 0.00 C ATOM 398 C ARG A 28 8.824 -7.995 3.650 1.00 0.00 C ATOM 399 O ARG A 28 7.969 -8.852 3.871 1.00 0.00 O ATOM 400 CB ARG A 28 11.183 -8.778 3.449 1.00 0.00 C ATOM 401 CG ARG A 28 10.935 -10.287 3.453 1.00 0.00 C ATOM 402 CD ARG A 28 11.171 -10.885 2.064 1.00 0.00 C ATOM 403 NE ARG A 28 11.844 -12.197 2.185 1.00 0.00 N ATOM 404 CZ ARG A 28 12.565 -12.764 1.208 1.00 0.00 C ATOM 405 NH1 ARG A 28 12.710 -12.138 0.032 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.140 -13.958 1.407 1.00 0.00 N ATOM 0 H ARG A 28 9.441 -9.537 5.634 1.00 0.00 H new ATOM 0 HA ARG A 28 10.543 -7.044 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.102 -8.395 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.199 -8.572 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.595 -10.766 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.913 -10.490 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.221 -11.001 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.781 -10.208 1.466 1.00 0.00 H new ATOM 0 HE ARG A 28 11.754 -12.701 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.272 -11.230 -0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.259 -12.570 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.029 -14.435 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.689 -14.390 0.664 1.00 0.00 H new ATOM 420 N PRO A 29 8.664 -6.948 2.797 1.00 0.00 N ATOM 421 CA PRO A 29 7.425 -6.766 2.060 1.00 0.00 C ATOM 422 C PRO A 29 7.318 -7.766 0.908 1.00 0.00 C ATOM 423 O PRO A 29 8.284 -7.982 0.178 1.00 0.00 O ATOM 424 CB PRO A 29 7.455 -5.320 1.592 1.00 0.00 C ATOM 425 CG PRO A 29 8.908 -4.883 1.680 1.00 0.00 C ATOM 426 CD PRO A 29 9.655 -5.915 2.511 1.00 0.00 C ATOM 0 HA PRO A 29 6.542 -6.955 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.082 -5.232 0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.820 -4.694 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.345 -4.806 0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.983 -3.897 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.506 -6.323 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.046 -5.476 3.429 1.00 0.00 H new ATOM 434 N VAL A 30 6.136 -8.351 0.781 1.00 0.00 N ATOM 435 CA VAL A 30 5.892 -9.323 -0.270 1.00 0.00 C ATOM 436 C VAL A 30 4.654 -8.907 -1.066 1.00 0.00 C ATOM 437 O VAL A 30 3.672 -8.436 -0.493 1.00 0.00 O ATOM 438 CB VAL A 30 5.772 -10.726 0.331 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.277 -11.729 -0.712 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.101 -11.177 0.940 1.00 0.00 C ATOM 0 H VAL A 30 5.337 -8.170 1.389 1.00 0.00 H new ATOM 0 HA VAL A 30 6.731 -9.352 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 30 5.034 -10.685 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.201 -12.717 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.297 -11.421 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.980 -11.765 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.988 -12.177 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.869 -11.193 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.394 -10.483 1.728 1.00 0.00 H new ATOM 450 N LEU A 31 4.740 -9.095 -2.375 1.00 0.00 N ATOM 451 CA LEU A 31 3.638 -8.744 -3.256 1.00 0.00 C ATOM 452 C LEU A 31 2.399 -9.551 -2.862 1.00 0.00 C ATOM 453 O LEU A 31 2.513 -10.692 -2.415 1.00 0.00 O ATOM 454 CB LEU A 31 4.047 -8.920 -4.719 1.00 0.00 C ATOM 455 CG LEU A 31 4.739 -7.721 -5.371 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.580 -8.159 -6.571 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.724 -6.639 -5.747 1.00 0.00 C ATOM 0 H LEU A 31 5.555 -9.486 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 31 3.381 -7.691 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.713 -9.780 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.155 -9.159 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 31 5.421 -7.283 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.061 -7.288 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.342 -8.866 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.937 -8.636 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.242 -5.798 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.999 -7.049 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.207 -6.298 -4.850 1.00 0.00 H new ATOM 469 N VAL A 32 1.245 -8.928 -3.042 1.00 0.00 N ATOM 470 CA VAL A 32 -0.014 -9.574 -2.711 1.00 0.00 C ATOM 471 C VAL A 32 -0.570 -10.266 -3.957 1.00 0.00 C ATOM 472 O VAL A 32 -0.793 -9.623 -4.981 1.00 0.00 O ATOM 473 CB VAL A 32 -0.984 -8.554 -2.110 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.385 -9.151 -1.962 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.466 -8.028 -0.771 1.00 0.00 C ATOM 0 H VAL A 32 1.154 -7.982 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 32 0.139 -10.342 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.051 -7.710 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.055 -8.406 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.757 -9.452 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.342 -10.021 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.174 -7.305 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.355 -8.858 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.500 -7.546 -0.919 1.00 0.00 H new ATOM 485 N PRO A 33 -0.784 -11.602 -3.824 1.00 0.00 N ATOM 486 CA PRO A 33 -1.310 -12.389 -4.927 1.00 0.00 C ATOM 487 C PRO A 33 -2.806 -12.133 -5.119 1.00 0.00 C ATOM 488 O PRO A 33 -3.609 -13.065 -5.085 1.00 0.00 O ATOM 489 CB PRO A 33 -0.996 -13.832 -4.566 1.00 0.00 C ATOM 490 CG PRO A 33 -0.725 -13.838 -3.070 1.00 0.00 C ATOM 491 CD PRO A 33 -0.532 -12.398 -2.626 1.00 0.00 C ATOM 0 HA PRO A 33 -0.860 -12.125 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.831 -14.487 -4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.131 -14.194 -5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.556 -14.295 -2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.163 -14.429 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.222 -12.135 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.476 -12.233 -2.246 1.00 0.00 H new ATOM 499 N TYR A 34 -3.137 -10.865 -5.316 1.00 0.00 N ATOM 500 CA TYR A 34 -4.522 -10.475 -5.513 1.00 0.00 C ATOM 501 C TYR A 34 -5.245 -11.462 -6.433 1.00 0.00 C ATOM 502 O TYR A 34 -6.390 -11.830 -6.176 1.00 0.00 O ATOM 503 CB TYR A 34 -4.483 -9.103 -6.188 1.00 0.00 C ATOM 504 CG TYR A 34 -3.754 -8.030 -5.375 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.373 -7.452 -4.285 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.479 -7.642 -5.731 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.687 -6.443 -3.520 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.794 -6.632 -4.967 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.432 -6.083 -3.899 1.00 0.00 C ATOM 510 OH TYR A 34 -1.786 -5.130 -3.176 1.00 0.00 O ATOM 0 H TYR A 34 -2.469 -10.095 -5.343 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.054 -10.458 -4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.998 -9.201 -7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.505 -8.772 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.371 -7.756 -4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.995 -8.096 -6.583 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.159 -5.983 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.796 -6.318 -5.236 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.441 -4.598 -2.677 1.00 0.00 H new ATOM 520 N LYS A 35 -4.545 -11.861 -7.484 1.00 0.00 N ATOM 521 CA LYS A 35 -5.106 -12.799 -8.444 1.00 0.00 C ATOM 522 C LYS A 35 -5.679 -14.004 -7.697 1.00 0.00 C ATOM 523 O LYS A 35 -6.753 -14.496 -8.038 1.00 0.00 O ATOM 524 CB LYS A 35 -4.064 -13.169 -9.501 1.00 0.00 C ATOM 525 CG LYS A 35 -4.675 -13.150 -10.903 1.00 0.00 C ATOM 526 CD LYS A 35 -4.378 -14.453 -11.649 1.00 0.00 C ATOM 527 CE LYS A 35 -5.620 -15.345 -11.711 1.00 0.00 C ATOM 528 NZ LYS A 35 -5.231 -16.765 -11.855 1.00 0.00 N ATOM 0 H LYS A 35 -3.595 -11.553 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.931 -12.340 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.229 -12.469 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.662 -14.160 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.753 -13.005 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.277 -12.306 -11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.037 -14.228 -12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.568 -14.985 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.214 -15.214 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.248 -15.047 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.085 -17.357 -11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.683 -16.888 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.651 -17.050 -11.040 1.00 0.00 H new ATOM 542 N LEU A 36 -4.937 -14.446 -6.691 1.00 0.00 N ATOM 543 CA LEU A 36 -5.358 -15.585 -5.894 1.00 0.00 C ATOM 544 C LEU A 36 -6.453 -15.143 -4.920 1.00 0.00 C ATOM 545 O LEU A 36 -7.599 -15.573 -5.032 1.00 0.00 O ATOM 546 CB LEU A 36 -4.154 -16.236 -5.212 1.00 0.00 C ATOM 547 CG LEU A 36 -3.183 -16.979 -6.131 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.924 -17.404 -5.371 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.869 -18.165 -6.810 1.00 0.00 C ATOM 0 H LEU A 36 -4.047 -14.035 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.790 -16.357 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.600 -15.462 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.521 -16.937 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.868 -16.295 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.251 -17.930 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.423 -16.521 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.201 -18.064 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.156 -18.676 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.232 -18.859 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.709 -17.807 -7.406 1.00 0.00 H new ATOM 561 N ILE A 37 -6.059 -14.289 -3.987 1.00 0.00 N ATOM 562 CA ILE A 37 -6.993 -13.784 -2.994 1.00 0.00 C ATOM 563 C ILE A 37 -8.338 -13.497 -3.663 1.00 0.00 C ATOM 564 O ILE A 37 -9.391 -13.713 -3.066 1.00 0.00 O ATOM 565 CB ILE A 37 -6.399 -12.576 -2.266 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.099 -12.953 -1.549 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.420 -11.954 -1.311 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.044 -11.858 -1.718 1.00 0.00 C ATOM 0 H ILE A 37 -5.107 -13.934 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.173 -14.535 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.150 -11.818 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.297 -13.112 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.719 -13.894 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.972 -11.098 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.293 -11.627 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.723 -12.694 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.131 -12.150 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.831 -11.718 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.418 -10.925 -1.297 1.00 0.00 H new ATOM 580 N ARG A 38 -8.259 -13.014 -4.895 1.00 0.00 N ATOM 581 CA ARG A 38 -9.457 -12.695 -5.653 1.00 0.00 C ATOM 582 C ARG A 38 -10.310 -13.950 -5.849 1.00 0.00 C ATOM 583 O ARG A 38 -11.492 -13.961 -5.507 1.00 0.00 O ATOM 584 CB ARG A 38 -9.104 -12.107 -7.020 1.00 0.00 C ATOM 585 CG ARG A 38 -10.362 -11.661 -7.766 1.00 0.00 C ATOM 586 CD ARG A 38 -10.712 -10.209 -7.432 1.00 0.00 C ATOM 587 NE ARG A 38 -11.206 -9.516 -8.642 1.00 0.00 N ATOM 588 CZ ARG A 38 -10.433 -9.183 -9.686 1.00 0.00 C ATOM 589 NH1 ARG A 38 -9.126 -9.479 -9.673 1.00 0.00 N ATOM 590 NH2 ARG A 38 -10.968 -8.555 -10.742 1.00 0.00 N ATOM 0 H ARG A 38 -7.383 -12.836 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.020 -11.953 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.432 -11.258 -6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.570 -12.850 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.208 -11.764 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.196 -12.310 -7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.472 -10.180 -6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.834 -9.695 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.197 -9.276 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.719 -9.957 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.538 -9.226 -10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.963 -8.330 -10.752 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.380 -8.302 -11.536 1.00 0.00 H new ATOM 604 N ASP A 39 -9.678 -14.976 -6.399 1.00 0.00 N ATOM 605 CA ASP A 39 -10.364 -16.233 -6.645 1.00 0.00 C ATOM 606 C ASP A 39 -10.641 -16.927 -5.310 1.00 0.00 C ATOM 607 O ASP A 39 -11.705 -17.516 -5.121 1.00 0.00 O ATOM 608 CB ASP A 39 -9.508 -17.171 -7.497 1.00 0.00 C ATOM 609 CG ASP A 39 -10.269 -18.322 -8.156 1.00 0.00 C ATOM 610 OD1 ASP A 39 -10.756 -19.189 -7.397 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.347 -18.311 -9.403 1.00 0.00 O ATOM 0 H ASP A 39 -8.698 -14.963 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.292 -16.013 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.020 -16.585 -8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.720 -17.588 -6.870 1.00 0.00 H new ATOM 616 N SER A 40 -9.666 -16.836 -4.418 1.00 0.00 N ATOM 617 CA SER A 40 -9.792 -17.447 -3.107 1.00 0.00 C ATOM 618 C SER A 40 -9.956 -16.366 -2.037 1.00 0.00 C ATOM 619 O SER A 40 -8.980 -15.743 -1.624 1.00 0.00 O ATOM 620 CB SER A 40 -8.580 -18.327 -2.790 1.00 0.00 C ATOM 621 OG SER A 40 -8.668 -18.912 -1.494 1.00 0.00 O ATOM 0 H SER A 40 -8.785 -16.348 -4.578 1.00 0.00 H new ATOM 0 HA SER A 40 -10.678 -18.082 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.499 -19.115 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.671 -17.729 -2.857 1.00 0.00 H new ATOM 0 HG SER A 40 -7.877 -19.467 -1.331 1.00 0.00 H new ATOM 627 N PRO A 41 -11.233 -16.170 -1.609 1.00 0.00 N ATOM 628 CA PRO A 41 -11.538 -15.174 -0.597 1.00 0.00 C ATOM 629 C PRO A 41 -11.109 -15.654 0.792 1.00 0.00 C ATOM 630 O PRO A 41 -11.036 -14.864 1.731 1.00 0.00 O ATOM 631 CB PRO A 41 -13.036 -14.945 -0.709 1.00 0.00 C ATOM 632 CG PRO A 41 -13.587 -16.149 -1.454 1.00 0.00 C ATOM 633 CD PRO A 41 -12.415 -16.889 -2.076 1.00 0.00 C ATOM 0 HA PRO A 41 -10.994 -14.242 -0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.492 -14.854 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.251 -14.021 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.133 -16.802 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.290 -15.832 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.394 -17.932 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.477 -16.885 -3.164 1.00 0.00 H new ATOM 641 N ASP A 42 -10.837 -16.948 0.877 1.00 0.00 N ATOM 642 CA ASP A 42 -10.418 -17.543 2.134 1.00 0.00 C ATOM 643 C ASP A 42 -8.925 -17.874 2.065 1.00 0.00 C ATOM 644 O ASP A 42 -8.518 -18.989 2.387 1.00 0.00 O ATOM 645 CB ASP A 42 -11.177 -18.842 2.410 1.00 0.00 C ATOM 646 CG ASP A 42 -12.609 -18.658 2.917 1.00 0.00 C ATOM 647 OD1 ASP A 42 -13.469 -18.317 2.076 1.00 0.00 O ATOM 648 OD2 ASP A 42 -12.812 -18.864 4.133 1.00 0.00 O ATOM 0 H ASP A 42 -10.899 -17.601 0.096 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.626 -16.828 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.205 -19.431 1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.619 -19.422 3.145 1.00 0.00 H new ATOM 653 N ALA A 43 -8.152 -16.885 1.642 1.00 0.00 N ATOM 654 CA ALA A 43 -6.714 -17.058 1.525 1.00 0.00 C ATOM 655 C ALA A 43 -6.010 -16.088 2.477 1.00 0.00 C ATOM 656 O ALA A 43 -5.188 -16.501 3.294 1.00 0.00 O ATOM 657 CB ALA A 43 -6.291 -16.855 0.068 1.00 0.00 C ATOM 0 H ALA A 43 -8.494 -15.962 1.376 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.425 -18.070 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.212 -16.985 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.797 -17.586 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.562 -15.849 -0.253 1.00 0.00 H new ATOM 663 N VAL A 44 -6.358 -14.817 2.340 1.00 0.00 N ATOM 664 CA VAL A 44 -5.769 -13.786 3.176 1.00 0.00 C ATOM 665 C VAL A 44 -6.856 -12.794 3.597 1.00 0.00 C ATOM 666 O VAL A 44 -7.726 -12.448 2.801 1.00 0.00 O ATOM 667 CB VAL A 44 -4.603 -13.119 2.444 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.150 -11.852 3.173 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.439 -14.095 2.264 1.00 0.00 C ATOM 0 H VAL A 44 -7.041 -14.478 1.662 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.356 -14.223 4.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.952 -12.828 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.320 -11.398 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.979 -11.146 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.828 -12.108 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.623 -13.596 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.092 -14.431 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.771 -14.954 1.682 1.00 0.00 H new ATOM 679 N GLU A 45 -6.770 -12.366 4.848 1.00 0.00 N ATOM 680 CA GLU A 45 -7.735 -11.422 5.384 1.00 0.00 C ATOM 681 C GLU A 45 -7.168 -10.001 5.342 1.00 0.00 C ATOM 682 O GLU A 45 -6.067 -9.754 5.831 1.00 0.00 O ATOM 683 CB GLU A 45 -8.146 -11.806 6.807 1.00 0.00 C ATOM 684 CG GLU A 45 -8.676 -10.590 7.571 1.00 0.00 C ATOM 685 CD GLU A 45 -9.437 -11.022 8.827 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.786 -11.627 9.706 1.00 0.00 O ATOM 687 OE2 GLU A 45 -10.653 -10.737 8.878 1.00 0.00 O ATOM 0 H GLU A 45 -6.046 -12.656 5.506 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.629 -11.454 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.912 -12.580 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.291 -12.228 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.846 -9.941 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.333 -10.008 6.925 1.00 0.00 H new ATOM 694 N VAL A 46 -7.945 -9.106 4.751 1.00 0.00 N ATOM 695 CA VAL A 46 -7.534 -7.717 4.638 1.00 0.00 C ATOM 696 C VAL A 46 -8.513 -6.835 5.415 1.00 0.00 C ATOM 697 O VAL A 46 -9.720 -6.886 5.182 1.00 0.00 O ATOM 698 CB VAL A 46 -7.416 -7.324 3.164 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.243 -5.811 3.011 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.272 -8.079 2.486 1.00 0.00 C ATOM 0 H VAL A 46 -8.857 -9.315 4.345 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.547 -7.574 5.079 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.344 -7.606 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.162 -5.559 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.105 -5.301 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.339 -5.494 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.210 -7.782 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.333 -7.843 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.457 -9.151 2.548 1.00 0.00 H new ATOM 710 N THR A 47 -7.958 -6.045 6.323 1.00 0.00 N ATOM 711 CA THR A 47 -8.767 -5.153 7.135 1.00 0.00 C ATOM 712 C THR A 47 -8.012 -3.853 7.414 1.00 0.00 C ATOM 713 O THR A 47 -6.836 -3.729 7.075 1.00 0.00 O ATOM 714 CB THR A 47 -9.170 -5.906 8.406 1.00 0.00 C ATOM 715 OG1 THR A 47 -8.007 -6.655 8.749 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.235 -6.973 8.141 1.00 0.00 C ATOM 0 H THR A 47 -6.957 -6.005 6.514 1.00 0.00 H new ATOM 0 HA THR A 47 -9.676 -4.858 6.612 1.00 0.00 H new ATOM 0 HB THR A 47 -9.542 -5.197 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.179 -7.172 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.485 -7.477 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.129 -6.501 7.733 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.851 -7.701 7.427 1.00 0.00 H new ATOM 724 N GLY A 48 -8.718 -2.916 8.028 1.00 0.00 N ATOM 725 CA GLY A 48 -8.129 -1.628 8.356 1.00 0.00 C ATOM 726 C GLY A 48 -8.378 -0.611 7.241 1.00 0.00 C ATOM 727 O GLY A 48 -8.421 0.593 7.492 1.00 0.00 O ATOM 0 H GLY A 48 -9.693 -3.022 8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.551 -1.259 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.057 -1.744 8.514 1.00 0.00 H new ATOM 731 N LEU A 49 -8.536 -1.132 6.033 1.00 0.00 N ATOM 732 CA LEU A 49 -8.781 -0.284 4.879 1.00 0.00 C ATOM 733 C LEU A 49 -9.827 0.772 5.240 1.00 0.00 C ATOM 734 O LEU A 49 -10.558 0.619 6.216 1.00 0.00 O ATOM 735 CB LEU A 49 -9.157 -1.131 3.661 1.00 0.00 C ATOM 736 CG LEU A 49 -7.990 -1.662 2.826 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.487 -2.587 1.714 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.139 -0.513 2.280 1.00 0.00 C ATOM 0 H LEU A 49 -8.499 -2.131 5.829 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.873 0.249 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.749 -1.980 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.799 -0.535 3.013 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.348 -2.257 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.637 -2.950 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.015 -3.433 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.163 -2.038 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.317 -0.918 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.755 0.129 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.738 0.069 3.110 1.00 0.00 H new ATOM 750 N PRO A 50 -9.865 1.851 4.410 1.00 0.00 N ATOM 751 CA PRO A 50 -10.809 2.932 4.633 1.00 0.00 C ATOM 752 C PRO A 50 -12.223 2.520 4.218 1.00 0.00 C ATOM 753 O PRO A 50 -12.399 1.770 3.259 1.00 0.00 O ATOM 754 CB PRO A 50 -10.268 4.099 3.822 1.00 0.00 C ATOM 755 CG PRO A 50 -9.306 3.494 2.812 1.00 0.00 C ATOM 756 CD PRO A 50 -9.013 2.066 3.244 1.00 0.00 C ATOM 0 HA PRO A 50 -10.899 3.202 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.075 4.634 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.759 4.818 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.742 3.509 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.385 4.075 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.243 1.356 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.960 1.936 3.493 1.00 0.00 H new ATOM 764 N ASP A 51 -13.195 3.029 4.961 1.00 0.00 N ATOM 765 CA ASP A 51 -14.588 2.723 4.682 1.00 0.00 C ATOM 766 C ASP A 51 -14.937 3.199 3.271 1.00 0.00 C ATOM 767 O ASP A 51 -14.400 4.200 2.798 1.00 0.00 O ATOM 768 CB ASP A 51 -15.516 3.437 5.666 1.00 0.00 C ATOM 769 CG ASP A 51 -15.120 4.877 6.000 1.00 0.00 C ATOM 770 OD1 ASP A 51 -15.440 5.759 5.173 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.507 5.063 7.073 1.00 0.00 O ATOM 0 H ASP A 51 -13.046 3.651 5.755 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.723 1.646 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.525 3.440 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.551 2.862 6.591 1.00 0.00 H new ATOM 776 N ASP A 52 -15.836 2.461 2.637 1.00 0.00 N ATOM 777 CA ASP A 52 -16.265 2.796 1.290 1.00 0.00 C ATOM 778 C ASP A 52 -15.124 2.509 0.311 1.00 0.00 C ATOM 779 O ASP A 52 -14.967 3.210 -0.688 1.00 0.00 O ATOM 780 CB ASP A 52 -16.622 4.278 1.178 1.00 0.00 C ATOM 781 CG ASP A 52 -17.918 4.576 0.422 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.883 3.808 0.625 1.00 0.00 O ATOM 783 OD2 ASP A 52 -17.916 5.564 -0.343 1.00 0.00 O ATOM 0 H ASP A 52 -16.279 1.632 3.032 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.144 2.195 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.701 4.694 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.802 4.797 0.682 1.00 0.00 H new ATOM 788 N ILE A 53 -14.356 1.478 0.631 1.00 0.00 N ATOM 789 CA ILE A 53 -13.235 1.090 -0.208 1.00 0.00 C ATOM 790 C ILE A 53 -12.910 -0.386 0.034 1.00 0.00 C ATOM 791 O ILE A 53 -12.567 -0.774 1.150 1.00 0.00 O ATOM 792 CB ILE A 53 -12.048 2.027 0.020 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.408 3.468 -0.346 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.810 1.537 -0.734 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.164 4.357 -0.367 1.00 0.00 C ATOM 0 H ILE A 53 -14.488 0.899 1.460 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.494 1.191 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.804 2.016 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.890 3.489 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.127 3.860 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.980 2.221 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.541 0.541 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.025 1.500 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.449 5.376 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.698 4.354 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.457 3.976 -1.104 1.00 0.00 H new ATOM 807 N PRO A 54 -13.030 -1.187 -1.058 1.00 0.00 N ATOM 808 CA PRO A 54 -12.752 -2.611 -0.975 1.00 0.00 C ATOM 809 C PRO A 54 -11.247 -2.873 -0.907 1.00 0.00 C ATOM 810 O PRO A 54 -10.469 -1.970 -0.603 1.00 0.00 O ATOM 811 CB PRO A 54 -13.405 -3.211 -2.210 1.00 0.00 C ATOM 812 CG PRO A 54 -13.620 -2.054 -3.171 1.00 0.00 C ATOM 813 CD PRO A 54 -13.433 -0.761 -2.395 1.00 0.00 C ATOM 0 HA PRO A 54 -13.151 -3.066 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.769 -3.976 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.351 -3.690 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.912 -2.108 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.619 -2.098 -3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.673 -0.129 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.355 -0.180 -2.365 1.00 0.00 H new ATOM 821 N PHE A 55 -10.881 -4.113 -1.195 1.00 0.00 N ATOM 822 CA PHE A 55 -9.482 -4.505 -1.170 1.00 0.00 C ATOM 823 C PHE A 55 -9.083 -5.197 -2.476 1.00 0.00 C ATOM 824 O PHE A 55 -9.275 -6.402 -2.627 1.00 0.00 O ATOM 825 CB PHE A 55 -9.314 -5.491 -0.013 1.00 0.00 C ATOM 826 CG PHE A 55 -8.125 -6.442 -0.172 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.874 -5.940 -0.350 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.320 -7.787 -0.134 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.771 -6.822 -0.498 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.217 -8.669 -0.281 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.965 -8.167 -0.461 1.00 0.00 C ATOM 0 H PHE A 55 -11.529 -4.860 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.851 -3.624 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.196 -4.930 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.226 -6.080 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.719 -4.872 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.314 -8.185 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.777 -6.424 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.372 -9.737 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.126 -8.837 -0.574 1.00 0.00 H new ATOM 841 N ARG A 56 -8.535 -4.404 -3.384 1.00 0.00 N ATOM 842 CA ARG A 56 -8.108 -4.924 -4.672 1.00 0.00 C ATOM 843 C ARG A 56 -6.799 -4.259 -5.105 1.00 0.00 C ATOM 844 O ARG A 56 -6.308 -3.352 -4.436 1.00 0.00 O ATOM 845 CB ARG A 56 -9.173 -4.684 -5.744 1.00 0.00 C ATOM 846 CG ARG A 56 -10.545 -5.171 -5.272 1.00 0.00 C ATOM 847 CD ARG A 56 -11.243 -5.984 -6.364 1.00 0.00 C ATOM 848 NE ARG A 56 -12.708 -5.948 -6.163 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.369 -6.736 -5.302 1.00 0.00 C ATOM 850 NH1 ARG A 56 -12.697 -7.626 -4.558 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.699 -6.634 -5.185 1.00 0.00 N ATOM 0 H ARG A 56 -8.377 -3.405 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.956 -5.998 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.222 -3.621 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.895 -5.203 -6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.430 -5.782 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.164 -4.317 -4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.992 -5.581 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.890 -7.015 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.250 -5.282 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.684 -7.704 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.199 -8.226 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.210 -5.957 -5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.201 -7.234 -4.530 1.00 0.00 H new ATOM 865 N ASN A 57 -6.272 -4.737 -6.224 1.00 0.00 N ATOM 866 CA ASN A 57 -5.031 -4.200 -6.754 1.00 0.00 C ATOM 867 C ASN A 57 -5.021 -2.680 -6.579 1.00 0.00 C ATOM 868 O ASN A 57 -6.029 -2.017 -6.819 1.00 0.00 O ATOM 869 CB ASN A 57 -4.893 -4.505 -8.247 1.00 0.00 C ATOM 870 CG ASN A 57 -3.439 -4.811 -8.611 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.981 -4.109 -9.644 1.00 0.00 O flip ATOM 872 ND2 ASN A 57 -2.775 -5.630 -7.995 1.00 0.00 N flip ATOM 0 H ASN A 57 -6.682 -5.490 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.205 -4.662 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.524 -5.355 -8.508 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.246 -3.655 -8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.188 -6.135 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.808 -5.809 -8.265 1.00 0.00 H new ATOM 879 N PRO A 58 -3.840 -2.158 -6.150 1.00 0.00 N ATOM 880 CA PRO A 58 -3.686 -0.729 -5.941 1.00 0.00 C ATOM 881 C PRO A 58 -3.569 0.012 -7.274 1.00 0.00 C ATOM 882 O PRO A 58 -3.663 1.237 -7.319 1.00 0.00 O ATOM 883 CB PRO A 58 -2.446 -0.591 -5.073 1.00 0.00 C ATOM 884 CG PRO A 58 -1.689 -1.901 -5.215 1.00 0.00 C ATOM 885 CD PRO A 58 -2.625 -2.913 -5.856 1.00 0.00 C ATOM 0 HA PRO A 58 -4.551 -0.280 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.834 0.251 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.716 -0.407 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.798 -1.763 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.353 -2.255 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.191 -3.335 -6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.829 -3.746 -5.183 1.00 0.00 H new ATOM 893 N ASN A 59 -3.366 -0.763 -8.329 1.00 0.00 N ATOM 894 CA ASN A 59 -3.235 -0.197 -9.661 1.00 0.00 C ATOM 895 C ASN A 59 -4.620 -0.090 -10.303 1.00 0.00 C ATOM 896 O ASN A 59 -4.920 -0.800 -11.262 1.00 0.00 O ATOM 897 CB ASN A 59 -2.367 -1.084 -10.555 1.00 0.00 C ATOM 898 CG ASN A 59 -1.655 -0.255 -11.625 1.00 0.00 C ATOM 899 OD1 ASN A 59 -2.199 0.685 -12.183 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.413 -0.653 -11.882 1.00 0.00 N ATOM 0 H ASN A 59 -3.289 -1.779 -8.288 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.769 0.784 -9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.630 -1.609 -9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.987 -1.844 -11.031 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.145 -0.164 -12.582 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.018 -1.447 -11.379 1.00 0.00 H new ATOM 907 N THR A 60 -5.426 0.803 -9.749 1.00 0.00 N ATOM 908 CA THR A 60 -6.772 1.012 -10.256 1.00 0.00 C ATOM 909 C THR A 60 -7.482 2.103 -9.450 1.00 0.00 C ATOM 910 O THR A 60 -8.233 2.902 -10.007 1.00 0.00 O ATOM 911 CB THR A 60 -7.501 -0.333 -10.232 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.879 0.021 -10.156 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.245 -1.115 -8.941 1.00 0.00 C ATOM 0 H THR A 60 -5.173 1.390 -8.954 1.00 0.00 H new ATOM 0 HA THR A 60 -6.756 1.370 -11.285 1.00 0.00 H new ATOM 0 HB THR A 60 -7.187 -0.932 -11.087 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.425 -0.792 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.785 -2.061 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.177 -1.310 -8.839 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.590 -0.531 -8.088 1.00 0.00 H new ATOM 921 N TYR A 61 -7.218 2.101 -8.151 1.00 0.00 N ATOM 922 CA TYR A 61 -7.822 3.079 -7.263 1.00 0.00 C ATOM 923 C TYR A 61 -7.664 4.495 -7.820 1.00 0.00 C ATOM 924 O TYR A 61 -7.040 4.691 -8.862 1.00 0.00 O ATOM 925 CB TYR A 61 -7.061 2.976 -5.941 1.00 0.00 C ATOM 926 CG TYR A 61 -7.308 1.672 -5.181 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.598 1.217 -4.995 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.243 0.951 -4.680 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.831 -0.011 -4.279 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.476 -0.276 -3.964 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.760 -0.697 -3.798 1.00 0.00 C ATOM 932 OH TYR A 61 -7.980 -1.856 -3.122 1.00 0.00 O ATOM 0 H TYR A 61 -6.594 1.437 -7.693 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.888 2.885 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.994 3.072 -6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.344 3.815 -5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.432 1.781 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.234 1.308 -4.825 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.835 -0.379 -4.127 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.651 -0.849 -3.568 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.205 -2.447 -3.225 1.00 0.00 H new ATOM 942 N ASP A 62 -8.240 5.448 -7.101 1.00 0.00 N ATOM 943 CA ASP A 62 -8.171 6.840 -7.510 1.00 0.00 C ATOM 944 C ASP A 62 -7.340 7.625 -6.493 1.00 0.00 C ATOM 945 O ASP A 62 -7.174 7.191 -5.353 1.00 0.00 O ATOM 946 CB ASP A 62 -9.566 7.467 -7.567 1.00 0.00 C ATOM 947 CG ASP A 62 -10.502 6.868 -8.618 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.343 7.244 -9.799 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.355 6.048 -8.216 1.00 0.00 O ATOM 0 H ASP A 62 -8.757 5.283 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.718 6.879 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.033 7.367 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.460 8.534 -7.762 1.00 0.00 H new ATOM 954 N ILE A 63 -6.841 8.768 -6.940 1.00 0.00 N ATOM 955 CA ILE A 63 -6.032 9.618 -6.083 1.00 0.00 C ATOM 956 C ILE A 63 -6.630 9.633 -4.675 1.00 0.00 C ATOM 957 O ILE A 63 -5.900 9.673 -3.687 1.00 0.00 O ATOM 958 CB ILE A 63 -5.876 11.009 -6.701 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.464 11.554 -6.475 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.950 11.965 -6.176 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.451 13.082 -6.534 1.00 0.00 C ATOM 0 H ILE A 63 -6.981 9.125 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.021 9.219 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.019 10.923 -7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.092 11.221 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.790 11.151 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.817 12.947 -6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.937 11.578 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.862 12.052 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.436 13.444 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.800 13.411 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.108 13.482 -5.761 1.00 0.00 H new ATOM 973 N HIS A 64 -7.954 9.600 -4.630 1.00 0.00 N ATOM 974 CA HIS A 64 -8.659 9.610 -3.359 1.00 0.00 C ATOM 975 C HIS A 64 -8.394 8.300 -2.615 1.00 0.00 C ATOM 976 O HIS A 64 -7.663 8.283 -1.625 1.00 0.00 O ATOM 977 CB HIS A 64 -10.151 9.880 -3.568 1.00 0.00 C ATOM 978 CG HIS A 64 -10.553 11.318 -3.334 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.004 11.780 -2.110 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.567 12.388 -4.179 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.274 13.072 -2.225 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.003 13.447 -3.509 1.00 0.00 N ATOM 0 H HIS A 64 -8.557 9.566 -5.452 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.284 10.423 -2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.422 9.599 -4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.723 9.239 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.273 12.376 -5.218 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.644 13.716 -1.440 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.117 14.386 -3.890 1.00 0.00 H new ATOM 990 N ARG A 65 -9.000 7.236 -3.118 1.00 0.00 N ATOM 991 CA ARG A 65 -8.839 5.925 -2.513 1.00 0.00 C ATOM 992 C ARG A 65 -7.365 5.666 -2.197 1.00 0.00 C ATOM 993 O ARG A 65 -7.033 5.191 -1.111 1.00 0.00 O ATOM 994 CB ARG A 65 -9.356 4.823 -3.440 1.00 0.00 C ATOM 995 CG ARG A 65 -10.831 5.041 -3.781 1.00 0.00 C ATOM 996 CD ARG A 65 -11.602 3.721 -3.751 1.00 0.00 C ATOM 997 NE ARG A 65 -13.021 3.954 -4.103 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.461 4.151 -5.353 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.598 4.144 -6.377 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.766 4.356 -5.579 1.00 0.00 N ATOM 0 H ARG A 65 -9.605 7.255 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.421 5.911 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.766 4.807 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.229 3.852 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.272 5.740 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.916 5.494 -4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.157 3.014 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.534 3.273 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.706 3.965 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.605 3.989 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.934 4.294 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.424 4.362 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.101 4.506 -6.531 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.518 5.989 -3.164 1.00 0.00 N ATOM 1015 CA LEU A 66 -5.087 5.797 -3.001 1.00 0.00 C ATOM 1016 C LEU A 66 -4.627 6.485 -1.715 1.00 0.00 C ATOM 1017 O LEU A 66 -3.819 5.935 -0.967 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.339 6.265 -4.251 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.439 5.353 -5.475 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.970 6.077 -6.738 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.679 4.044 -5.248 1.00 0.00 C ATOM 0 H LEU A 66 -6.796 6.382 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.854 4.737 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.714 7.251 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.286 6.384 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.487 5.094 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.051 5.406 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.592 6.956 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.932 6.385 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.766 3.414 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.628 4.262 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.101 3.523 -4.389 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.162 7.677 -1.496 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.816 8.447 -0.313 1.00 0.00 C ATOM 1035 C GLU A 67 -5.450 7.820 0.931 1.00 0.00 C ATOM 1036 O GLU A 67 -4.760 7.543 1.911 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.238 9.909 -0.466 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.171 10.712 -1.212 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.493 11.720 -0.281 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.235 12.378 0.480 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.248 11.809 -0.350 1.00 0.00 O ATOM 0 H GLU A 67 -5.833 8.129 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.733 8.428 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.183 9.964 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.407 10.347 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.424 10.035 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.626 11.236 -2.052 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.756 7.615 0.851 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.490 7.028 1.958 1.00 0.00 C ATOM 1050 C LYS A 68 -6.713 5.826 2.499 1.00 0.00 C ATOM 1051 O LYS A 68 -6.462 5.734 3.700 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.922 6.693 1.535 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.617 7.919 0.935 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.923 8.223 1.671 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.635 9.425 1.049 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.458 10.626 1.896 1.00 0.00 N ATOM 0 H LYS A 68 -7.325 7.845 0.036 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.582 7.744 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.910 5.884 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.486 6.336 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.954 8.782 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.823 7.745 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.576 7.351 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.714 8.423 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.238 9.614 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.697 9.207 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.947 11.433 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.858 10.447 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.445 10.842 1.985 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.354 4.935 1.587 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.610 3.742 1.957 1.00 0.00 C ATOM 1072 C ILE A 69 -4.339 4.152 2.704 1.00 0.00 C ATOM 1073 O ILE A 69 -4.091 3.688 3.816 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.349 2.871 0.729 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.640 2.218 0.232 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.257 1.837 1.012 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.800 2.396 -1.279 1.00 0.00 C ATOM 0 H ILE A 69 -6.564 5.015 0.592 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.195 3.123 2.638 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.985 3.514 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.632 1.156 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.495 2.658 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.091 1.230 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.333 2.348 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.569 1.195 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.726 1.922 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.832 3.459 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.956 1.934 -1.791 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.566 5.015 2.062 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.326 5.492 2.652 1.00 0.00 C ATOM 1091 C LEU A 70 -2.626 6.138 4.005 1.00 0.00 C ATOM 1092 O LEU A 70 -1.799 6.093 4.916 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.591 6.416 1.679 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.731 5.725 0.618 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.394 6.685 -0.524 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.525 5.114 1.244 1.00 0.00 C ATOM 0 H LEU A 70 -3.774 5.397 1.139 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.648 4.659 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.329 7.038 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.953 7.085 2.256 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.308 4.906 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.218 6.169 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.315 7.031 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.156 7.540 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.119 4.629 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.116 5.900 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.236 4.378 1.994 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.810 6.725 4.097 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.229 7.378 5.325 1.00 0.00 C ATOM 1110 C LYS A 71 -4.542 6.318 6.382 1.00 0.00 C ATOM 1111 O LYS A 71 -4.478 6.592 7.579 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.390 8.337 5.052 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.973 9.789 5.299 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.192 10.713 5.324 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.770 12.180 5.217 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.858 13.067 5.685 1.00 0.00 N ATOM 0 H LYS A 71 -4.493 6.762 3.340 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.423 7.995 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.727 8.222 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.234 8.083 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.438 9.861 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.284 10.111 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.860 10.462 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.751 10.558 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.872 12.351 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.518 12.418 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.556 14.059 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.705 12.916 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.079 12.851 6.678 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.875 5.129 5.900 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.199 4.026 6.789 1.00 0.00 C ATOM 1132 C ALA A 72 -4.097 2.968 6.704 1.00 0.00 C ATOM 1133 O ALA A 72 -4.348 1.787 6.934 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.576 3.466 6.427 1.00 0.00 C ATOM 0 H ALA A 72 -4.927 4.906 4.906 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.248 4.367 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.819 2.639 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.327 4.249 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.565 3.110 5.397 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.901 3.430 6.371 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.760 2.539 6.252 1.00 0.00 C ATOM 1142 C ARG A 73 -1.468 1.868 7.596 1.00 0.00 C ATOM 1143 O ARG A 73 -0.998 0.733 7.638 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.515 3.296 5.786 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.138 4.394 6.781 1.00 0.00 C ATOM 1146 CD ARG A 73 1.213 5.018 6.422 1.00 0.00 C ATOM 1147 NE ARG A 73 1.590 6.027 7.436 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.775 6.652 7.471 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.705 6.374 6.548 1.00 0.00 N ATOM 1150 NH2 ARG A 73 3.030 7.554 8.429 1.00 0.00 N ATOM 0 H ARG A 73 -2.697 4.411 6.180 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.008 1.780 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.317 2.601 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.698 3.736 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.909 5.165 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.095 3.978 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.977 4.243 6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.158 5.483 5.438 1.00 0.00 H new ATOM 0 HE ARG A 73 0.905 6.262 8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.511 5.687 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.607 6.849 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.322 7.765 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.932 8.029 8.455 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.758 2.601 8.662 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.532 2.091 10.003 1.00 0.00 C ATOM 1166 C GLU A 74 -2.683 1.176 10.424 1.00 0.00 C ATOM 1167 O GLU A 74 -2.474 0.204 11.148 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.349 3.237 11.001 1.00 0.00 C ATOM 1169 CG GLU A 74 -0.073 4.027 10.703 1.00 0.00 C ATOM 1170 CD GLU A 74 0.182 5.082 11.780 1.00 0.00 C ATOM 1171 OE1 GLU A 74 -0.347 6.203 11.614 1.00 0.00 O ATOM 1172 OE2 GLU A 74 0.902 4.746 12.745 1.00 0.00 O ATOM 0 H GLU A 74 -2.147 3.543 8.623 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.612 1.506 9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.211 3.903 10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.305 2.838 12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.776 3.346 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.159 4.509 9.729 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.872 1.519 9.953 1.00 0.00 N ATOM 1180 CA HIS A 75 -5.057 0.740 10.272 1.00 0.00 C ATOM 1181 C HIS A 75 -5.051 -0.559 9.461 1.00 0.00 C ATOM 1182 O HIS A 75 -5.379 -1.622 9.984 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.326 1.567 10.056 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.754 2.360 11.268 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.376 1.782 12.361 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.645 3.690 11.547 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.625 2.731 13.251 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -7.171 3.913 12.744 1.00 0.00 N ATOM 0 H HIS A 75 -4.041 2.326 9.353 1.00 0.00 H new ATOM 0 HA HIS A 75 -5.045 0.469 11.328 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.164 2.253 9.224 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.138 0.900 9.765 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.205 4.436 10.902 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.103 2.593 14.209 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.227 4.819 13.209 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.673 -0.428 8.198 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.620 -1.576 7.310 1.00 0.00 C ATOM 1198 C VAL A 76 -3.887 -2.722 8.010 1.00 0.00 C ATOM 1199 O VAL A 76 -2.799 -2.530 8.552 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.976 -1.180 5.980 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.574 -2.418 5.175 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.908 -0.278 5.168 1.00 0.00 C ATOM 0 H VAL A 76 -4.400 0.456 7.769 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.626 -1.926 7.077 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.070 -0.615 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.119 -2.108 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.858 -3.008 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.458 -3.021 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.427 -0.011 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.838 -0.807 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.124 0.627 5.735 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.512 -3.890 7.976 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.932 -5.068 8.601 1.00 0.00 C ATOM 1214 C ARG A 77 -4.297 -6.323 7.807 1.00 0.00 C ATOM 1215 O ARG A 77 -5.442 -6.486 7.387 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.420 -5.224 10.043 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.857 -6.496 10.678 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.693 -6.172 11.616 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.373 -7.351 12.451 1.00 0.00 N ATOM 1220 CZ ARG A 77 -1.537 -7.326 13.499 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -0.934 -6.181 13.846 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -1.305 -8.444 14.199 1.00 0.00 N ATOM 0 H ARG A 77 -5.414 -4.046 7.526 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.849 -4.941 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.117 -4.356 10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.509 -5.256 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.643 -7.009 11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.520 -7.178 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.818 -5.879 11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.952 -5.325 12.252 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.816 -8.239 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.111 -5.329 13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.298 -6.161 14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.764 -9.316 13.935 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.669 -8.424 14.996 1.00 0.00 H new ATOM 1236 N MET A 78 -3.304 -7.181 7.627 1.00 0.00 N ATOM 1237 CA MET A 78 -3.506 -8.418 6.892 1.00 0.00 C ATOM 1238 C MET A 78 -3.389 -9.631 7.817 1.00 0.00 C ATOM 1239 O MET A 78 -2.574 -9.637 8.738 1.00 0.00 O ATOM 1240 CB MET A 78 -2.466 -8.524 5.774 1.00 0.00 C ATOM 1241 CG MET A 78 -2.830 -7.615 4.599 1.00 0.00 C ATOM 1242 SD MET A 78 -1.533 -7.655 3.373 1.00 0.00 S ATOM 1243 CE MET A 78 -2.263 -6.617 2.117 1.00 0.00 C ATOM 0 H MET A 78 -2.356 -7.044 7.978 1.00 0.00 H new ATOM 0 HA MET A 78 -4.509 -8.406 6.466 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.484 -8.251 6.159 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.398 -9.557 5.432 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.771 -7.939 4.155 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.978 -6.594 4.951 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.475 -6.104 1.566 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.845 -7.232 1.430 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.916 -5.881 2.587 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.214 -10.630 7.538 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.213 -11.846 8.333 1.00 0.00 C ATOM 1255 C VAL A 79 -4.346 -13.055 7.406 1.00 0.00 C ATOM 1256 O VAL A 79 -5.346 -13.196 6.702 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.315 -11.779 9.392 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.369 -13.073 10.209 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.129 -10.564 10.303 1.00 0.00 C ATOM 0 H VAL A 79 -4.888 -10.622 6.772 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.271 -11.951 8.871 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.268 -11.667 8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.161 -13.000 10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.572 -13.914 9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.413 -13.228 10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.926 -10.541 11.046 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.165 -10.631 10.807 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.163 -9.653 9.706 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.325 -13.899 7.437 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.317 -15.094 6.609 1.00 0.00 C ATOM 1271 C ILE A 80 -4.406 -16.053 7.091 1.00 0.00 C ATOM 1272 O ILE A 80 -4.257 -16.695 8.130 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.918 -15.715 6.580 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.863 -14.672 6.206 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.878 -16.930 5.651 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.046 -14.198 4.763 1.00 0.00 C ATOM 0 H ILE A 80 -2.498 -13.779 8.022 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.551 -14.842 5.575 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.679 -16.068 7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.932 -13.821 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.133 -15.097 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.873 -17.353 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.586 -17.680 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.146 -16.624 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.283 -13.457 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.952 -15.047 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.034 -13.751 4.649 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.477 -16.120 6.316 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.592 -16.990 6.651 1.00 0.00 C ATOM 1290 C ILE A 81 -6.222 -18.437 6.318 1.00 0.00 C ATOM 1291 O ILE A 81 -6.383 -19.329 7.149 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.872 -16.509 5.967 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.279 -15.124 6.474 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.999 -17.532 6.128 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.297 -15.084 8.003 1.00 0.00 C ATOM 0 H ILE A 81 -5.597 -15.586 5.456 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.797 -16.951 7.721 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.673 -16.415 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.583 -14.375 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.265 -14.867 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.897 -17.165 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.698 -18.479 5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.205 -17.682 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.589 -14.089 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.011 -15.817 8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.303 -15.318 8.385 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.732 -18.623 5.101 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.338 -19.946 4.647 1.00 0.00 C ATOM 1309 C ASN A 82 -4.107 -19.827 3.748 1.00 0.00 C ATOM 1310 O ASN A 82 -3.798 -18.743 3.253 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.455 -20.606 3.836 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.457 -22.122 4.038 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -5.727 -22.861 3.398 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.317 -22.544 4.960 1.00 0.00 N ATOM 0 H ASN A 82 -5.599 -17.880 4.415 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.124 -20.554 5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.419 -20.194 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.326 -20.377 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.394 -23.540 5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.899 -21.872 5.460 1.00 0.00 H new ATOM 1321 N GLN A 83 -3.437 -20.953 3.562 1.00 0.00 N ATOM 1322 CA GLN A 83 -2.246 -20.989 2.730 1.00 0.00 C ATOM 1323 C GLN A 83 -2.584 -21.538 1.342 1.00 0.00 C ATOM 1324 O GLN A 83 -3.504 -22.341 1.196 1.00 0.00 O ATOM 1325 CB GLN A 83 -1.139 -21.813 3.390 1.00 0.00 C ATOM 1326 CG GLN A 83 0.244 -21.297 2.989 1.00 0.00 C ATOM 1327 CD GLN A 83 1.332 -21.882 3.892 1.00 0.00 C ATOM 1328 OE1 GLN A 83 1.513 -21.480 5.029 1.00 0.00 O ATOM 1329 NE2 GLN A 83 2.043 -22.852 3.323 1.00 0.00 N ATOM 0 H GLN A 83 -3.696 -21.850 3.974 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.876 -19.970 2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.246 -21.770 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.238 -22.859 3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.447 -21.561 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.262 -20.209 3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.838 -23.140 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.793 -23.307 3.844 1.00 0.00 H new ATOM 1338 N SER A 84 -1.821 -21.083 0.359 1.00 0.00 N ATOM 1339 CA SER A 84 -2.028 -21.518 -1.012 1.00 0.00 C ATOM 1340 C SER A 84 -1.030 -20.822 -1.938 1.00 0.00 C ATOM 1341 O SER A 84 -1.321 -19.758 -2.483 1.00 0.00 O ATOM 1342 CB SER A 84 -3.461 -21.237 -1.468 1.00 0.00 C ATOM 1343 OG SER A 84 -4.270 -22.410 -1.443 1.00 0.00 O ATOM 0 H SER A 84 -1.058 -20.417 0.485 1.00 0.00 H new ATOM 0 HA SER A 84 -1.866 -22.595 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.904 -20.478 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.446 -20.829 -2.478 1.00 0.00 H new ATOM 0 HG SER A 84 -4.267 -22.791 -0.540 1.00 0.00 H new ATOM 1349 N GLY A 85 0.126 -21.451 -2.089 1.00 0.00 N ATOM 1350 CA GLY A 85 1.169 -20.904 -2.941 1.00 0.00 C ATOM 1351 C GLY A 85 2.473 -20.720 -2.161 1.00 0.00 C ATOM 1352 O GLY A 85 2.475 -20.748 -0.931 1.00 0.00 O ATOM 0 H GLY A 85 0.364 -22.334 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.338 -21.569 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.846 -19.946 -3.348 1.00 0.00 H new ATOM 1356 N PRO A 86 3.580 -20.533 -2.929 1.00 0.00 N ATOM 1357 CA PRO A 86 4.888 -20.344 -2.324 1.00 0.00 C ATOM 1358 C PRO A 86 5.019 -18.941 -1.729 1.00 0.00 C ATOM 1359 O PRO A 86 5.088 -18.783 -0.511 1.00 0.00 O ATOM 1360 CB PRO A 86 5.881 -20.610 -3.443 1.00 0.00 C ATOM 1361 CG PRO A 86 5.095 -20.482 -4.738 1.00 0.00 C ATOM 1362 CD PRO A 86 3.616 -20.494 -4.389 1.00 0.00 C ATOM 0 HA PRO A 86 5.065 -21.017 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.703 -19.895 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.319 -21.604 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.358 -19.559 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.335 -21.304 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.111 -19.608 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.114 -21.360 -4.821 1.00 0.00 H new ATOM 1370 N SER A 87 5.049 -17.957 -2.615 1.00 0.00 N ATOM 1371 CA SER A 87 5.172 -16.572 -2.193 1.00 0.00 C ATOM 1372 C SER A 87 6.494 -16.366 -1.452 1.00 0.00 C ATOM 1373 O SER A 87 6.590 -16.644 -0.257 1.00 0.00 O ATOM 1374 CB SER A 87 3.996 -16.161 -1.306 1.00 0.00 C ATOM 1375 OG SER A 87 2.740 -16.483 -1.899 1.00 0.00 O ATOM 0 H SER A 87 4.990 -18.091 -3.624 1.00 0.00 H new ATOM 0 HA SER A 87 5.160 -15.941 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.079 -16.660 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.043 -15.089 -1.116 1.00 0.00 H new ATOM 0 HG SER A 87 2.015 -16.206 -1.301 1.00 0.00 H new ATOM 1381 N SER A 88 7.480 -15.878 -2.190 1.00 0.00 N ATOM 1382 CA SER A 88 8.792 -15.632 -1.617 1.00 0.00 C ATOM 1383 C SER A 88 9.383 -16.937 -1.078 1.00 0.00 C ATOM 1384 O SER A 88 10.025 -17.683 -1.816 1.00 0.00 O ATOM 1385 CB SER A 88 8.720 -14.584 -0.505 1.00 0.00 C ATOM 1386 OG SER A 88 8.958 -13.268 -0.995 1.00 0.00 O ATOM 0 H SER A 88 7.397 -15.646 -3.180 1.00 0.00 H new ATOM 0 HA SER A 88 9.440 -15.245 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.738 -14.623 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.453 -14.822 0.265 1.00 0.00 H new ATOM 0 HG SER A 88 9.368 -12.726 -0.290 1.00 0.00 H new ATOM 1392 N GLY A 89 9.143 -17.173 0.204 1.00 0.00 N ATOM 1393 CA GLY A 89 9.643 -18.375 0.849 1.00 0.00 C ATOM 1394 C GLY A 89 10.537 -18.026 2.041 1.00 0.00 C ATOM 1395 O GLY A 89 10.323 -18.520 3.147 1.00 0.00 O ATOM 0 H GLY A 89 8.609 -16.552 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.806 -18.987 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.205 -18.971 0.130 1.00 0.00 H new TER 1399 GLY A 89