USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 573 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 51 LYS NZ :NH3+ -153:sc= -1.46! (180deg=-1.97!) USER MOD Set 1.2: A 61 TYR OH : rot -119:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 70:sc= -2.01! USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -0.0072 (180deg=-0.0938) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -160:sc= -0.73 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0967 K(o=-0.097,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.763 F(o=-1.3,f=-0.76) USER MOD Single : A 46 MET CE :methyl 152:sc= -0.139 (180deg=-1.5) USER MOD Single : A 54 ASN : amide:sc= -5.94! C(o=-5.9!,f=-19!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.129 K(o=-0.13,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.736 (180deg=-2.25!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0753 K(o=-0.075,f=-1.6) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.499 -20.271 -18.734 1.00 0.00 N ATOM 2 CA GLY A 1 0.956 -21.512 -19.253 1.00 0.00 C ATOM 3 C GLY A 1 0.017 -22.188 -18.274 1.00 0.00 C ATOM 4 O GLY A 1 -0.984 -21.604 -17.858 1.00 0.00 O ATOM 0 H1 GLY A 1 2.134 -19.848 -19.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.722 -19.611 -18.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.031 -20.463 -17.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.424 -21.311 -20.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.774 -22.190 -19.494 1.00 0.00 H new ATOM 8 N SER A 2 0.338 -23.424 -17.906 1.00 0.00 N ATOM 9 CA SER A 2 -0.487 -24.183 -16.974 1.00 0.00 C ATOM 10 C SER A 2 -0.832 -23.345 -15.747 1.00 0.00 C ATOM 11 O SER A 2 -2.004 -23.110 -15.451 1.00 0.00 O ATOM 12 CB SER A 2 0.235 -25.462 -16.545 1.00 0.00 C ATOM 13 OG SER A 2 -0.556 -26.217 -15.644 1.00 0.00 O ATOM 0 H SER A 2 1.164 -23.921 -18.239 1.00 0.00 H new ATOM 0 HA SER A 2 -1.413 -24.450 -17.482 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.466 -26.065 -17.423 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.184 -25.207 -16.074 1.00 0.00 H new ATOM 0 HG SER A 2 -0.073 -27.030 -15.387 1.00 0.00 H new ATOM 19 N SER A 3 0.197 -22.896 -15.036 1.00 0.00 N ATOM 20 CA SER A 3 0.004 -22.087 -13.838 1.00 0.00 C ATOM 21 C SER A 3 -0.168 -20.615 -14.199 1.00 0.00 C ATOM 22 O SER A 3 0.762 -19.969 -14.681 1.00 0.00 O ATOM 23 CB SER A 3 1.191 -22.255 -12.887 1.00 0.00 C ATOM 24 OG SER A 3 1.100 -21.356 -11.795 1.00 0.00 O ATOM 0 H SER A 3 1.173 -23.079 -15.269 1.00 0.00 H new ATOM 0 HA SER A 3 -0.903 -22.430 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.222 -23.280 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.122 -22.083 -13.428 1.00 0.00 H new ATOM 0 HG SER A 3 1.869 -21.484 -11.201 1.00 0.00 H new ATOM 30 N GLY A 4 -1.366 -20.090 -13.963 1.00 0.00 N ATOM 31 CA GLY A 4 -1.640 -18.698 -14.269 1.00 0.00 C ATOM 32 C GLY A 4 -2.925 -18.206 -13.634 1.00 0.00 C ATOM 33 O GLY A 4 -3.803 -19.002 -13.297 1.00 0.00 O ATOM 0 H GLY A 4 -2.152 -20.604 -13.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.809 -18.083 -13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.701 -18.572 -15.350 1.00 0.00 H new ATOM 37 N SER A 5 -3.037 -16.892 -13.467 1.00 0.00 N ATOM 38 CA SER A 5 -4.223 -16.296 -12.863 1.00 0.00 C ATOM 39 C SER A 5 -4.769 -15.170 -13.735 1.00 0.00 C ATOM 40 O SER A 5 -4.011 -14.440 -14.373 1.00 0.00 O ATOM 41 CB SER A 5 -3.895 -15.763 -11.467 1.00 0.00 C ATOM 42 OG SER A 5 -4.938 -14.935 -10.980 1.00 0.00 O ATOM 0 H SER A 5 -2.321 -16.220 -13.742 1.00 0.00 H new ATOM 0 HA SER A 5 -4.987 -17.069 -12.779 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.739 -16.597 -10.783 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.963 -15.199 -11.499 1.00 0.00 H new ATOM 0 HG SER A 5 -4.706 -14.608 -10.086 1.00 0.00 H new ATOM 48 N SER A 6 -6.092 -15.036 -13.757 1.00 0.00 N ATOM 49 CA SER A 6 -6.742 -14.002 -14.553 1.00 0.00 C ATOM 50 C SER A 6 -6.654 -12.646 -13.859 1.00 0.00 C ATOM 51 O SER A 6 -6.504 -12.569 -12.640 1.00 0.00 O ATOM 52 CB SER A 6 -8.207 -14.366 -14.802 1.00 0.00 C ATOM 53 OG SER A 6 -8.341 -15.179 -15.955 1.00 0.00 O ATOM 0 H SER A 6 -6.734 -15.631 -13.233 1.00 0.00 H new ATOM 0 HA SER A 6 -6.224 -13.935 -15.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.607 -14.891 -13.935 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.795 -13.457 -14.924 1.00 0.00 H new ATOM 0 HG SER A 6 -9.286 -15.399 -16.092 1.00 0.00 H new ATOM 59 N GLY A 7 -6.749 -11.578 -14.645 1.00 0.00 N ATOM 60 CA GLY A 7 -6.679 -10.239 -14.090 1.00 0.00 C ATOM 61 C GLY A 7 -5.506 -9.447 -14.633 1.00 0.00 C ATOM 62 O GLY A 7 -4.557 -10.018 -15.172 1.00 0.00 O ATOM 0 H GLY A 7 -6.873 -11.616 -15.657 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.605 -9.708 -14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.599 -10.303 -13.005 1.00 0.00 H new ATOM 66 N THR A 8 -5.571 -8.127 -14.495 1.00 0.00 N ATOM 67 CA THR A 8 -4.509 -7.254 -14.979 1.00 0.00 C ATOM 68 C THR A 8 -3.342 -7.213 -13.999 1.00 0.00 C ATOM 69 O THR A 8 -3.539 -7.201 -12.783 1.00 0.00 O ATOM 70 CB THR A 8 -5.021 -5.820 -15.210 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.924 -4.950 -15.510 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.762 -5.306 -13.985 1.00 0.00 C ATOM 0 H THR A 8 -6.349 -7.638 -14.052 1.00 0.00 H new ATOM 0 HA THR A 8 -4.169 -7.667 -15.929 1.00 0.00 H new ATOM 0 HB THR A 8 -5.712 -5.836 -16.053 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.258 -4.041 -15.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.114 -4.292 -14.172 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.614 -5.953 -13.777 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.090 -5.304 -13.127 1.00 0.00 H new ATOM 80 N LEU A 9 -2.126 -7.192 -14.535 1.00 0.00 N ATOM 81 CA LEU A 9 -0.926 -7.151 -13.707 1.00 0.00 C ATOM 82 C LEU A 9 -0.630 -5.728 -13.246 1.00 0.00 C ATOM 83 O LEU A 9 -0.713 -4.781 -14.029 1.00 0.00 O ATOM 84 CB LEU A 9 0.270 -7.708 -14.481 1.00 0.00 C ATOM 85 CG LEU A 9 0.370 -9.232 -14.557 1.00 0.00 C ATOM 86 CD1 LEU A 9 1.401 -9.648 -15.594 1.00 0.00 C ATOM 87 CD2 LEU A 9 0.718 -9.812 -13.194 1.00 0.00 C ATOM 0 H LEU A 9 -1.946 -7.203 -15.539 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.101 -7.769 -12.826 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.234 -7.315 -15.497 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.183 -7.326 -14.024 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.600 -9.626 -14.861 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.458 -10.736 -15.634 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.109 -9.264 -16.571 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.375 -9.243 -15.321 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.785 -10.897 -13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.675 -9.411 -12.862 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.057 -9.544 -12.476 1.00 0.00 H new ATOM 99 N ARG A 10 -0.283 -5.584 -11.971 1.00 0.00 N ATOM 100 CA ARG A 10 0.027 -4.276 -11.406 1.00 0.00 C ATOM 101 C ARG A 10 1.420 -3.818 -11.827 1.00 0.00 C ATOM 102 O ARG A 10 2.399 -4.545 -11.665 1.00 0.00 O ATOM 103 CB ARG A 10 -0.067 -4.321 -9.880 1.00 0.00 C ATOM 104 CG ARG A 10 -1.479 -4.545 -9.363 1.00 0.00 C ATOM 105 CD ARG A 10 -1.682 -3.901 -8.000 1.00 0.00 C ATOM 106 NE ARG A 10 -3.034 -4.115 -7.490 1.00 0.00 N ATOM 107 CZ ARG A 10 -4.103 -3.475 -7.951 1.00 0.00 C ATOM 108 NH1 ARG A 10 -3.978 -2.586 -8.927 1.00 0.00 N ATOM 109 NH2 ARG A 10 -5.300 -3.724 -7.435 1.00 0.00 N ATOM 0 H ARG A 10 -0.209 -6.357 -11.310 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.702 -3.561 -11.787 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.578 -5.117 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.316 -3.385 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.197 -4.133 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.677 -5.615 -9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.959 -4.310 -7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.487 -2.831 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.164 -4.793 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.059 -2.392 -9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.800 -2.096 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.400 -4.407 -6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.120 -3.232 -7.789 1.00 0.00 H new ATOM 123 N ASN A 11 1.500 -2.607 -12.370 1.00 0.00 N ATOM 124 CA ASN A 11 2.773 -2.052 -12.816 1.00 0.00 C ATOM 125 C ASN A 11 3.367 -1.133 -11.753 1.00 0.00 C ATOM 126 O ASN A 11 3.089 0.066 -11.729 1.00 0.00 O ATOM 127 CB ASN A 11 2.587 -1.283 -14.125 1.00 0.00 C ATOM 128 CG ASN A 11 2.585 -2.196 -15.336 1.00 0.00 C ATOM 129 OD1 ASN A 11 1.534 -2.488 -15.906 1.00 0.00 O ATOM 130 ND2 ASN A 11 3.768 -2.651 -15.735 1.00 0.00 N ATOM 0 H ASN A 11 0.699 -1.992 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 11 3.463 -2.879 -12.983 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.648 -0.730 -14.088 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.386 -0.548 -14.228 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.830 -3.269 -16.544 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.614 -2.383 -15.232 1.00 0.00 H new ATOM 137 N TYR A 12 4.187 -1.703 -10.877 1.00 0.00 N ATOM 138 CA TYR A 12 4.820 -0.935 -9.811 1.00 0.00 C ATOM 139 C TYR A 12 5.959 -0.080 -10.358 1.00 0.00 C ATOM 140 O TYR A 12 6.600 -0.416 -11.354 1.00 0.00 O ATOM 141 CB TYR A 12 5.348 -1.873 -8.724 1.00 0.00 C ATOM 142 CG TYR A 12 4.320 -2.866 -8.229 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.020 -2.468 -7.946 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.650 -4.204 -8.047 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.079 -3.372 -7.494 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.715 -5.115 -7.596 1.00 0.00 C ATOM 147 CZ TYR A 12 2.431 -4.694 -7.320 1.00 0.00 C ATOM 148 OH TYR A 12 1.495 -5.598 -6.871 1.00 0.00 O ATOM 0 H TYR A 12 4.429 -2.694 -10.884 1.00 0.00 H new ATOM 0 HA TYR A 12 4.069 -0.274 -9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.209 -2.417 -9.112 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.701 -1.278 -7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.740 -1.434 -8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.655 -4.537 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.073 -3.045 -7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.988 -6.151 -7.460 1.00 0.00 H new ATOM 0 HH TYR A 12 1.819 -6.509 -7.028 1.00 0.00 H new ATOM 158 N PRO A 13 6.218 1.054 -9.690 1.00 0.00 N ATOM 159 CA PRO A 13 5.462 1.465 -8.504 1.00 0.00 C ATOM 160 C PRO A 13 4.033 1.875 -8.841 1.00 0.00 C ATOM 161 O PRO A 13 3.693 2.078 -10.007 1.00 0.00 O ATOM 162 CB PRO A 13 6.253 2.665 -7.977 1.00 0.00 C ATOM 163 CG PRO A 13 6.958 3.208 -9.172 1.00 0.00 C ATOM 164 CD PRO A 13 7.270 2.023 -10.043 1.00 0.00 C ATOM 0 HA PRO A 13 5.362 0.654 -7.783 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.593 3.411 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.959 2.365 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.332 3.927 -9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.870 3.731 -8.883 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.239 2.283 -11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.265 1.627 -9.841 1.00 0.00 H new ATOM 172 N LEU A 14 3.199 1.996 -7.813 1.00 0.00 N ATOM 173 CA LEU A 14 1.805 2.383 -8.001 1.00 0.00 C ATOM 174 C LEU A 14 1.302 3.198 -6.814 1.00 0.00 C ATOM 175 O LEU A 14 1.184 2.686 -5.700 1.00 0.00 O ATOM 176 CB LEU A 14 0.931 1.142 -8.189 1.00 0.00 C ATOM 177 CG LEU A 14 1.092 0.402 -9.517 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.391 -0.946 -9.466 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.552 1.244 -10.665 1.00 0.00 C ATOM 0 H LEU A 14 3.464 1.832 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 14 1.743 3.002 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.146 0.445 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.113 1.438 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 14 2.154 0.229 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.517 -1.458 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.824 -1.551 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.671 -0.797 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.675 0.702 -11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.506 1.449 -10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.100 2.185 -10.715 1.00 0.00 H new ATOM 191 N THR A 15 1.004 4.470 -7.059 1.00 0.00 N ATOM 192 CA THR A 15 0.513 5.356 -6.012 1.00 0.00 C ATOM 193 C THR A 15 -0.933 5.033 -5.652 1.00 0.00 C ATOM 194 O THR A 15 -1.775 4.845 -6.532 1.00 0.00 O ATOM 195 CB THR A 15 0.606 6.834 -6.436 1.00 0.00 C ATOM 196 OG1 THR A 15 1.805 7.053 -7.188 1.00 0.00 O ATOM 197 CG2 THR A 15 0.590 7.748 -5.221 1.00 0.00 C ATOM 0 H THR A 15 1.094 4.910 -7.975 1.00 0.00 H new ATOM 0 HA THR A 15 1.147 5.196 -5.140 1.00 0.00 H new ATOM 0 HB THR A 15 -0.260 7.066 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.856 7.994 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.657 8.786 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.337 7.600 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.439 7.514 -4.578 1.00 0.00 H new ATOM 205 N CYS A 16 -1.215 4.971 -4.356 1.00 0.00 N ATOM 206 CA CYS A 16 -2.561 4.670 -3.879 1.00 0.00 C ATOM 207 C CYS A 16 -2.964 5.618 -2.755 1.00 0.00 C ATOM 208 O CYS A 16 -2.149 6.400 -2.265 1.00 0.00 O ATOM 209 CB CYS A 16 -2.641 3.221 -3.395 1.00 0.00 C ATOM 210 SG CYS A 16 -1.136 2.629 -2.586 1.00 0.00 S ATOM 0 H CYS A 16 -0.530 5.125 -3.616 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.253 4.806 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.475 3.127 -2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.861 2.576 -4.246 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.998 3.224 -1.438 1.00 0.00 H new ATOM 216 N LYS A 17 -4.227 5.544 -2.350 1.00 0.00 N ATOM 217 CA LYS A 17 -4.741 6.395 -1.284 1.00 0.00 C ATOM 218 C LYS A 17 -5.414 5.561 -0.198 1.00 0.00 C ATOM 219 O LYS A 17 -6.264 4.718 -0.487 1.00 0.00 O ATOM 220 CB LYS A 17 -5.734 7.413 -1.849 1.00 0.00 C ATOM 221 CG LYS A 17 -6.372 8.294 -0.789 1.00 0.00 C ATOM 222 CD LYS A 17 -6.805 9.633 -1.363 1.00 0.00 C ATOM 223 CE LYS A 17 -8.010 10.192 -0.623 1.00 0.00 C ATOM 224 NZ LYS A 17 -9.261 9.459 -0.965 1.00 0.00 N ATOM 0 H LYS A 17 -4.915 4.902 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.899 6.926 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.221 8.045 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.518 6.882 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.235 7.784 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.664 8.457 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.978 10.341 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.047 9.516 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.836 10.132 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.129 11.247 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.084 10.004 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.318 9.332 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.256 8.528 -0.502 1.00 0.00 H new ATOM 238 N VAL A 18 -5.030 5.802 1.051 1.00 0.00 N ATOM 239 CA VAL A 18 -5.598 5.075 2.180 1.00 0.00 C ATOM 240 C VAL A 18 -6.977 5.613 2.542 1.00 0.00 C ATOM 241 O VAL A 18 -7.100 6.663 3.174 1.00 0.00 O ATOM 242 CB VAL A 18 -4.685 5.158 3.418 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.361 4.523 4.623 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.345 4.495 3.137 1.00 0.00 C ATOM 0 H VAL A 18 -4.327 6.496 1.307 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.687 4.033 1.873 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.504 6.209 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.701 4.591 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.293 5.047 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.574 3.475 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.713 4.563 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.504 3.447 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.857 5.000 2.303 1.00 0.00 H new ATOM 254 N VAL A 19 -8.015 4.887 2.137 1.00 0.00 N ATOM 255 CA VAL A 19 -9.387 5.290 2.420 1.00 0.00 C ATOM 256 C VAL A 19 -9.816 4.840 3.812 1.00 0.00 C ATOM 257 O VAL A 19 -10.661 5.472 4.448 1.00 0.00 O ATOM 258 CB VAL A 19 -10.367 4.714 1.382 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.365 5.560 0.118 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.017 3.267 1.065 1.00 0.00 C ATOM 0 H VAL A 19 -7.931 4.017 1.612 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.414 6.378 2.369 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.372 4.737 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.064 5.137 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.667 6.579 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.363 5.571 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.720 2.875 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.005 3.217 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.075 2.671 1.976 1.00 0.00 H new ATOM 270 N TYR A 20 -9.229 3.745 4.281 1.00 0.00 N ATOM 271 CA TYR A 20 -9.551 3.208 5.598 1.00 0.00 C ATOM 272 C TYR A 20 -8.287 3.001 6.426 1.00 0.00 C ATOM 273 O TYR A 20 -7.406 2.228 6.051 1.00 0.00 O ATOM 274 CB TYR A 20 -10.308 1.886 5.461 1.00 0.00 C ATOM 275 CG TYR A 20 -11.647 2.023 4.773 1.00 0.00 C ATOM 276 CD1 TYR A 20 -12.796 2.315 5.498 1.00 0.00 C ATOM 277 CD2 TYR A 20 -11.764 1.859 3.398 1.00 0.00 C ATOM 278 CE1 TYR A 20 -14.022 2.440 4.873 1.00 0.00 C ATOM 279 CE2 TYR A 20 -12.986 1.984 2.765 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.112 2.274 3.507 1.00 0.00 C ATOM 281 OH TYR A 20 -15.330 2.398 2.881 1.00 0.00 O ATOM 0 H TYR A 20 -8.527 3.211 3.768 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.185 3.930 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.693 1.181 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.460 1.460 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.730 2.446 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.885 1.630 2.814 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.905 2.667 5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.059 1.855 1.695 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.219 2.253 1.918 1.00 0.00 H new ATOM 291 N SER A 21 -8.207 3.696 7.556 1.00 0.00 N ATOM 292 CA SER A 21 -7.050 3.592 8.438 1.00 0.00 C ATOM 293 C SER A 21 -6.840 2.150 8.889 1.00 0.00 C ATOM 294 O SER A 21 -7.773 1.347 8.895 1.00 0.00 O ATOM 295 CB SER A 21 -7.228 4.499 9.657 1.00 0.00 C ATOM 296 OG SER A 21 -6.058 4.514 10.457 1.00 0.00 O ATOM 0 H SER A 21 -8.930 4.337 7.883 1.00 0.00 H new ATOM 0 HA SER A 21 -6.169 3.913 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.461 5.512 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.074 4.153 10.251 1.00 0.00 H new ATOM 0 HG SER A 21 -6.283 4.822 11.360 1.00 0.00 H new ATOM 302 N TYR A 22 -5.607 1.829 9.266 1.00 0.00 N ATOM 303 CA TYR A 22 -5.272 0.484 9.717 1.00 0.00 C ATOM 304 C TYR A 22 -4.094 0.512 10.687 1.00 0.00 C ATOM 305 O TYR A 22 -2.987 0.912 10.327 1.00 0.00 O ATOM 306 CB TYR A 22 -4.940 -0.410 8.521 1.00 0.00 C ATOM 307 CG TYR A 22 -4.543 -1.817 8.907 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.505 -2.771 9.215 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.207 -2.192 8.963 1.00 0.00 C ATOM 310 CE1 TYR A 22 -5.147 -4.057 9.569 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.840 -3.476 9.315 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.813 -4.405 9.618 1.00 0.00 C ATOM 313 OH TYR A 22 -3.453 -5.686 9.969 1.00 0.00 O ATOM 0 H TYR A 22 -4.823 2.482 9.268 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.139 0.077 10.237 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.806 -0.454 7.860 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.128 0.044 7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.550 -2.502 9.177 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.442 -1.467 8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.907 -4.786 9.806 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.796 -3.751 9.353 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.476 -5.767 9.954 1.00 0.00 H new ATOM 323 N LYS A 23 -4.342 0.083 11.920 1.00 0.00 N ATOM 324 CA LYS A 23 -3.304 0.056 12.944 1.00 0.00 C ATOM 325 C LYS A 23 -2.429 -1.185 12.799 1.00 0.00 C ATOM 326 O LYS A 23 -2.900 -2.310 12.961 1.00 0.00 O ATOM 327 CB LYS A 23 -3.934 0.089 14.338 1.00 0.00 C ATOM 328 CG LYS A 23 -4.212 1.493 14.847 1.00 0.00 C ATOM 329 CD LYS A 23 -5.536 2.024 14.323 1.00 0.00 C ATOM 330 CE LYS A 23 -6.019 3.215 15.136 1.00 0.00 C ATOM 331 NZ LYS A 23 -7.322 3.735 14.637 1.00 0.00 N ATOM 0 H LYS A 23 -5.253 -0.251 12.234 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.677 0.938 12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.868 -0.473 14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.271 -0.418 15.039 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.226 1.490 15.937 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.405 2.159 14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.425 2.316 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.285 1.233 14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.120 2.924 16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.272 4.008 15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.617 4.546 15.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.219 4.037 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.041 2.986 14.698 1.00 0.00 H new ATOM 345 N ALA A 24 -1.153 -0.972 12.495 1.00 0.00 N ATOM 346 CA ALA A 24 -0.212 -2.073 12.332 1.00 0.00 C ATOM 347 C ALA A 24 -0.070 -2.869 13.625 1.00 0.00 C ATOM 348 O ALA A 24 0.160 -2.302 14.693 1.00 0.00 O ATOM 349 CB ALA A 24 1.143 -1.547 11.883 1.00 0.00 C ATOM 0 H ALA A 24 -0.747 -0.047 12.357 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.602 -2.742 11.565 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.836 -2.380 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.034 -1.028 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.531 -0.855 12.631 1.00 0.00 H new ATOM 355 N SER A 25 -0.210 -4.187 13.521 1.00 0.00 N ATOM 356 CA SER A 25 -0.101 -5.061 14.683 1.00 0.00 C ATOM 357 C SER A 25 1.265 -5.739 14.727 1.00 0.00 C ATOM 358 O SER A 25 1.835 -5.939 15.799 1.00 0.00 O ATOM 359 CB SER A 25 -1.207 -6.118 14.657 1.00 0.00 C ATOM 360 OG SER A 25 -2.481 -5.528 14.853 1.00 0.00 O ATOM 0 H SER A 25 -0.399 -4.673 12.644 1.00 0.00 H new ATOM 0 HA SER A 25 -0.213 -4.450 15.579 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.189 -6.644 13.702 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.023 -6.860 15.434 1.00 0.00 H new ATOM 0 HG SER A 25 -3.171 -6.224 14.830 1.00 0.00 H new ATOM 366 N GLN A 26 1.782 -6.090 13.555 1.00 0.00 N ATOM 367 CA GLN A 26 3.081 -6.747 13.459 1.00 0.00 C ATOM 368 C GLN A 26 4.197 -5.722 13.284 1.00 0.00 C ATOM 369 O GLN A 26 3.998 -4.638 12.735 1.00 0.00 O ATOM 370 CB GLN A 26 3.092 -7.735 12.292 1.00 0.00 C ATOM 371 CG GLN A 26 2.559 -9.111 12.655 1.00 0.00 C ATOM 372 CD GLN A 26 3.095 -10.202 11.748 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.908 -9.944 10.860 1.00 0.00 O ATOM 374 NE2 GLN A 26 2.641 -11.431 11.968 1.00 0.00 N ATOM 0 H GLN A 26 1.322 -5.931 12.658 1.00 0.00 H new ATOM 0 HA GLN A 26 3.254 -7.291 14.387 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.496 -7.327 11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.112 -7.836 11.922 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.825 -9.339 13.687 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.470 -9.101 12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.967 -11.600 12.715 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.966 -12.206 11.390 1.00 0.00 H new ATOM 383 N PRO A 27 5.401 -6.070 13.763 1.00 0.00 N ATOM 384 CA PRO A 27 6.573 -5.194 13.670 1.00 0.00 C ATOM 385 C PRO A 27 7.076 -5.047 12.239 1.00 0.00 C ATOM 386 O PRO A 27 7.974 -4.251 11.965 1.00 0.00 O ATOM 387 CB PRO A 27 7.617 -5.907 14.533 1.00 0.00 C ATOM 388 CG PRO A 27 7.212 -7.341 14.511 1.00 0.00 C ATOM 389 CD PRO A 27 5.711 -7.346 14.430 1.00 0.00 C ATOM 0 HA PRO A 27 6.350 -4.179 13.997 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.621 -5.773 14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.626 -5.514 15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.651 -7.857 13.657 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.556 -7.858 15.407 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.342 -8.198 13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.255 -7.404 15.419 1.00 0.00 H new ATOM 397 N ASP A 28 6.491 -5.819 11.329 1.00 0.00 N ATOM 398 CA ASP A 28 6.879 -5.773 9.924 1.00 0.00 C ATOM 399 C ASP A 28 5.787 -5.124 9.080 1.00 0.00 C ATOM 400 O ASP A 28 5.858 -5.122 7.851 1.00 0.00 O ATOM 401 CB ASP A 28 7.170 -7.183 9.407 1.00 0.00 C ATOM 402 CG ASP A 28 8.067 -7.178 8.185 1.00 0.00 C ATOM 403 OD1 ASP A 28 7.978 -6.222 7.387 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.860 -8.130 8.028 1.00 0.00 O ATOM 0 H ASP A 28 5.747 -6.484 11.539 1.00 0.00 H new ATOM 0 HA ASP A 28 7.783 -5.170 9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.641 -7.767 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.230 -7.678 9.162 1.00 0.00 H new ATOM 409 N GLU A 29 4.777 -4.574 9.748 1.00 0.00 N ATOM 410 CA GLU A 29 3.670 -3.923 9.057 1.00 0.00 C ATOM 411 C GLU A 29 3.919 -2.424 8.922 1.00 0.00 C ATOM 412 O GLU A 29 4.908 -1.898 9.434 1.00 0.00 O ATOM 413 CB GLU A 29 2.358 -4.168 9.807 1.00 0.00 C ATOM 414 CG GLU A 29 1.747 -5.532 9.533 1.00 0.00 C ATOM 415 CD GLU A 29 0.579 -5.842 10.450 1.00 0.00 C ATOM 416 OE1 GLU A 29 -0.121 -4.894 10.862 1.00 0.00 O ATOM 417 OE2 GLU A 29 0.367 -7.034 10.756 1.00 0.00 O ATOM 0 H GLU A 29 4.703 -4.566 10.765 1.00 0.00 H new ATOM 0 HA GLU A 29 3.595 -4.352 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.537 -4.068 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.641 -3.395 9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.412 -5.575 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.512 -6.299 9.652 1.00 0.00 H new ATOM 424 N LEU A 30 3.015 -1.740 8.229 1.00 0.00 N ATOM 425 CA LEU A 30 3.135 -0.301 8.025 1.00 0.00 C ATOM 426 C LEU A 30 1.892 0.426 8.528 1.00 0.00 C ATOM 427 O LEU A 30 0.817 0.324 7.936 1.00 0.00 O ATOM 428 CB LEU A 30 3.356 0.007 6.543 1.00 0.00 C ATOM 429 CG LEU A 30 4.174 1.261 6.233 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.362 2.514 6.521 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.468 1.265 7.035 1.00 0.00 C ATOM 0 H LEU A 30 2.191 -2.159 7.799 1.00 0.00 H new ATOM 0 HA LEU A 30 3.995 0.052 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.852 -0.849 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.382 0.105 6.064 1.00 0.00 H new ATOM 0 HG LEU A 30 4.427 1.254 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.961 3.396 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.465 2.516 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.077 2.529 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.038 2.165 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.236 1.248 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.058 0.385 6.778 1.00 0.00 H new ATOM 443 N THR A 31 2.046 1.164 9.623 1.00 0.00 N ATOM 444 CA THR A 31 0.937 1.909 10.205 1.00 0.00 C ATOM 445 C THR A 31 0.451 3.000 9.258 1.00 0.00 C ATOM 446 O THR A 31 1.157 3.978 9.009 1.00 0.00 O ATOM 447 CB THR A 31 1.335 2.550 11.548 1.00 0.00 C ATOM 448 OG1 THR A 31 1.715 1.534 12.483 1.00 0.00 O ATOM 449 CG2 THR A 31 0.186 3.367 12.119 1.00 0.00 C ATOM 0 H THR A 31 2.929 1.262 10.125 1.00 0.00 H new ATOM 0 HA THR A 31 0.131 1.195 10.376 1.00 0.00 H new ATOM 0 HB THR A 31 2.181 3.215 11.371 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.968 1.950 13.333 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.490 3.810 13.067 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.081 4.158 11.418 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.676 2.719 12.281 1.00 0.00 H new ATOM 457 N ILE A 32 -0.757 2.827 8.734 1.00 0.00 N ATOM 458 CA ILE A 32 -1.337 3.799 7.816 1.00 0.00 C ATOM 459 C ILE A 32 -2.564 4.468 8.427 1.00 0.00 C ATOM 460 O ILE A 32 -3.093 4.010 9.438 1.00 0.00 O ATOM 461 CB ILE A 32 -1.736 3.143 6.480 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.865 2.135 6.699 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.532 2.468 5.841 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.255 1.383 5.446 1.00 0.00 C ATOM 0 H ILE A 32 -1.353 2.023 8.929 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.571 4.552 7.628 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.094 3.919 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.559 1.419 7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.739 2.659 7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.830 2.009 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.244 3.210 5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.146 1.700 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.061 0.686 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.592 2.090 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.394 0.831 5.070 1.00 0.00 H new ATOM 476 N GLU A 33 -3.011 5.554 7.803 1.00 0.00 N ATOM 477 CA GLU A 33 -4.176 6.286 8.286 1.00 0.00 C ATOM 478 C GLU A 33 -4.901 6.975 7.134 1.00 0.00 C ATOM 479 O GLU A 33 -4.282 7.371 6.146 1.00 0.00 O ATOM 480 CB GLU A 33 -3.758 7.322 9.332 1.00 0.00 C ATOM 481 CG GLU A 33 -3.782 6.792 10.756 1.00 0.00 C ATOM 482 CD GLU A 33 -3.316 7.819 11.769 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.855 8.946 11.763 1.00 0.00 O ATOM 484 OE2 GLU A 33 -2.412 7.496 12.569 1.00 0.00 O ATOM 0 H GLU A 33 -2.585 5.946 6.963 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.858 5.570 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.753 7.674 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.421 8.184 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.795 6.476 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.147 5.909 10.822 1.00 0.00 H new ATOM 491 N GLU A 34 -6.216 7.114 7.269 1.00 0.00 N ATOM 492 CA GLU A 34 -7.026 7.754 6.238 1.00 0.00 C ATOM 493 C GLU A 34 -6.336 9.006 5.703 1.00 0.00 C ATOM 494 O GLU A 34 -5.644 9.710 6.440 1.00 0.00 O ATOM 495 CB GLU A 34 -8.405 8.116 6.794 1.00 0.00 C ATOM 496 CG GLU A 34 -9.354 8.676 5.748 1.00 0.00 C ATOM 497 CD GLU A 34 -10.670 9.138 6.342 1.00 0.00 C ATOM 498 OE1 GLU A 34 -10.718 9.368 7.569 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.652 9.270 5.582 1.00 0.00 O ATOM 0 H GLU A 34 -6.743 6.793 8.081 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.147 7.048 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.852 7.228 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.285 8.848 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.875 9.513 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.548 7.914 4.994 1.00 0.00 H new ATOM 506 N HIS A 35 -6.528 9.276 4.416 1.00 0.00 N ATOM 507 CA HIS A 35 -5.925 10.443 3.782 1.00 0.00 C ATOM 508 C HIS A 35 -4.403 10.342 3.795 1.00 0.00 C ATOM 509 O HIS A 35 -3.712 11.292 4.162 1.00 0.00 O ATOM 510 CB HIS A 35 -6.369 11.722 4.491 1.00 0.00 C ATOM 511 CG HIS A 35 -7.856 11.885 4.557 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.687 12.016 5.618 1.00 0.00 N flip ATOM 513 CD2 HIS A 35 -8.659 11.926 3.437 1.00 0.00 C flip ATOM 514 CE1 HIS A 35 -9.963 12.134 5.125 1.00 0.00 C flip ATOM 515 NE2 HIS A 35 -9.919 12.077 3.806 1.00 0.00 N flip ATOM 0 H HIS A 35 -7.096 8.703 3.792 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.261 10.477 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.966 11.725 5.504 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.940 12.581 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.312 11.847 2.417 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.857 12.254 5.719 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.721 12.139 3.179 1.00 0.00 H new ATOM 524 N GLU A 36 -3.887 9.184 3.394 1.00 0.00 N ATOM 525 CA GLU A 36 -2.447 8.960 3.361 1.00 0.00 C ATOM 526 C GLU A 36 -2.021 8.346 2.031 1.00 0.00 C ATOM 527 O GLU A 36 -2.202 7.151 1.799 1.00 0.00 O ATOM 528 CB GLU A 36 -2.025 8.047 4.515 1.00 0.00 C ATOM 529 CG GLU A 36 -0.518 7.925 4.674 1.00 0.00 C ATOM 530 CD GLU A 36 0.077 9.066 5.476 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.444 9.354 6.574 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.063 9.671 5.005 1.00 0.00 O ATOM 0 H GLU A 36 -4.445 8.387 3.088 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.953 9.925 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.450 8.428 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.447 7.055 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.283 6.980 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.053 7.897 3.688 1.00 0.00 H new ATOM 539 N VAL A 37 -1.456 9.174 1.158 1.00 0.00 N ATOM 540 CA VAL A 37 -1.004 8.715 -0.150 1.00 0.00 C ATOM 541 C VAL A 37 0.335 7.993 -0.046 1.00 0.00 C ATOM 542 O VAL A 37 1.355 8.598 0.288 1.00 0.00 O ATOM 543 CB VAL A 37 -0.867 9.886 -1.140 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.412 9.384 -2.502 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.182 10.643 -1.254 1.00 0.00 C ATOM 0 H VAL A 37 -1.300 10.167 1.333 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.760 8.023 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.110 10.573 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.321 10.226 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.555 8.890 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.143 8.676 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.067 11.467 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.961 9.968 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.461 11.036 -0.277 1.00 0.00 H new ATOM 555 N LEU A 38 0.326 6.697 -0.335 1.00 0.00 N ATOM 556 CA LEU A 38 1.541 5.891 -0.275 1.00 0.00 C ATOM 557 C LEU A 38 1.997 5.488 -1.674 1.00 0.00 C ATOM 558 O LEU A 38 1.386 5.873 -2.670 1.00 0.00 O ATOM 559 CB LEU A 38 1.306 4.642 0.576 1.00 0.00 C ATOM 560 CG LEU A 38 0.536 4.853 1.881 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.158 3.568 2.305 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.470 5.344 2.977 1.00 0.00 C ATOM 0 H LEU A 38 -0.509 6.181 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 38 2.325 6.494 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.766 3.912 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.274 4.203 0.816 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.226 5.614 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.701 3.737 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.857 3.259 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.586 2.786 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.906 5.489 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.254 4.606 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.920 6.290 2.675 1.00 0.00 H new ATOM 574 N GLU A 39 3.073 4.711 -1.739 1.00 0.00 N ATOM 575 CA GLU A 39 3.610 4.255 -3.016 1.00 0.00 C ATOM 576 C GLU A 39 3.968 2.773 -2.958 1.00 0.00 C ATOM 577 O GLU A 39 4.940 2.383 -2.310 1.00 0.00 O ATOM 578 CB GLU A 39 4.843 5.076 -3.398 1.00 0.00 C ATOM 579 CG GLU A 39 5.253 4.918 -4.852 1.00 0.00 C ATOM 580 CD GLU A 39 6.359 5.874 -5.254 1.00 0.00 C ATOM 581 OE1 GLU A 39 6.137 7.101 -5.181 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.446 5.397 -5.642 1.00 0.00 O ATOM 0 H GLU A 39 3.590 4.384 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 39 2.841 4.395 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.644 6.129 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.677 4.782 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.584 3.894 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.385 5.084 -5.490 1.00 0.00 H new ATOM 589 N VAL A 40 3.177 1.952 -3.640 1.00 0.00 N ATOM 590 CA VAL A 40 3.410 0.513 -3.668 1.00 0.00 C ATOM 591 C VAL A 40 4.588 0.164 -4.570 1.00 0.00 C ATOM 592 O VAL A 40 4.514 0.314 -5.790 1.00 0.00 O ATOM 593 CB VAL A 40 2.163 -0.249 -4.153 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.432 -1.746 -4.191 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.969 0.064 -3.263 1.00 0.00 C ATOM 0 H VAL A 40 2.369 2.259 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 40 3.637 0.210 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 40 1.929 0.079 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.539 -2.267 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.258 -1.950 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.692 -2.094 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.096 -0.483 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.191 -0.235 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.764 1.134 -3.292 1.00 0.00 H new ATOM 605 N ILE A 41 5.674 -0.302 -3.963 1.00 0.00 N ATOM 606 CA ILE A 41 6.868 -0.674 -4.713 1.00 0.00 C ATOM 607 C ILE A 41 6.956 -2.186 -4.891 1.00 0.00 C ATOM 608 O ILE A 41 7.349 -2.673 -5.950 1.00 0.00 O ATOM 609 CB ILE A 41 8.148 -0.174 -4.017 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.246 -0.754 -2.605 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.168 1.346 -3.975 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.448 -0.258 -1.831 1.00 0.00 C ATOM 0 H ILE A 41 5.752 -0.431 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 41 6.788 -0.200 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 41 9.012 -0.513 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.340 -0.503 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.289 -1.841 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.078 1.684 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.140 1.738 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.300 1.706 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.454 -0.710 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.360 -0.533 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.397 0.827 -1.735 1.00 0.00 H new ATOM 624 N GLU A 42 6.587 -2.922 -3.847 1.00 0.00 N ATOM 625 CA GLU A 42 6.624 -4.379 -3.889 1.00 0.00 C ATOM 626 C GLU A 42 5.254 -4.968 -3.567 1.00 0.00 C ATOM 627 O GLU A 42 4.357 -4.263 -3.104 1.00 0.00 O ATOM 628 CB GLU A 42 7.666 -4.913 -2.904 1.00 0.00 C ATOM 629 CG GLU A 42 9.059 -5.035 -3.498 1.00 0.00 C ATOM 630 CD GLU A 42 9.249 -6.318 -4.284 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.527 -7.362 -3.659 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.119 -6.276 -5.526 1.00 0.00 O ATOM 0 H GLU A 42 6.259 -2.533 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 42 6.901 -4.681 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.706 -4.253 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.346 -5.891 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.247 -4.183 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.797 -4.992 -2.697 1.00 0.00 H new ATOM 639 N ASP A 43 5.100 -6.264 -3.815 1.00 0.00 N ATOM 640 CA ASP A 43 3.840 -6.949 -3.551 1.00 0.00 C ATOM 641 C ASP A 43 3.897 -7.697 -2.222 1.00 0.00 C ATOM 642 O ASP A 43 3.477 -8.850 -2.129 1.00 0.00 O ATOM 643 CB ASP A 43 3.517 -7.922 -4.685 1.00 0.00 C ATOM 644 CG ASP A 43 4.684 -8.829 -5.020 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.815 -8.524 -4.589 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.466 -9.845 -5.713 1.00 0.00 O ATOM 0 H ASP A 43 5.832 -6.861 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 43 3.052 -6.199 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.657 -8.530 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.232 -7.358 -5.573 1.00 0.00 H new ATOM 651 N GLY A 44 4.420 -7.033 -1.196 1.00 0.00 N ATOM 652 CA GLY A 44 4.523 -7.651 0.113 1.00 0.00 C ATOM 653 C GLY A 44 5.062 -9.066 0.045 1.00 0.00 C ATOM 654 O GLY A 44 5.677 -9.456 -0.948 1.00 0.00 O ATOM 0 H GLY A 44 4.774 -6.078 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.174 -7.048 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.540 -7.662 0.585 1.00 0.00 H new ATOM 658 N ASP A 45 4.835 -9.835 1.104 1.00 0.00 N ATOM 659 CA ASP A 45 5.303 -11.215 1.161 1.00 0.00 C ATOM 660 C ASP A 45 4.131 -12.181 1.305 1.00 0.00 C ATOM 661 O ASP A 45 4.307 -13.328 1.714 1.00 0.00 O ATOM 662 CB ASP A 45 6.277 -11.398 2.325 1.00 0.00 C ATOM 663 CG ASP A 45 7.715 -11.135 1.924 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.991 -11.083 0.707 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.565 -10.983 2.827 1.00 0.00 O ATOM 0 H ASP A 45 4.330 -9.526 1.935 1.00 0.00 H new ATOM 0 HA ASP A 45 5.820 -11.436 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.000 -10.724 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.191 -12.414 2.711 1.00 0.00 H new ATOM 670 N MET A 46 2.936 -11.708 0.967 1.00 0.00 N ATOM 671 CA MET A 46 1.735 -12.531 1.059 1.00 0.00 C ATOM 672 C MET A 46 0.922 -12.452 -0.229 1.00 0.00 C ATOM 673 O MET A 46 1.244 -11.677 -1.129 1.00 0.00 O ATOM 674 CB MET A 46 0.877 -12.087 2.246 1.00 0.00 C ATOM 675 CG MET A 46 1.688 -11.565 3.421 1.00 0.00 C ATOM 676 SD MET A 46 0.880 -11.856 5.006 1.00 0.00 S ATOM 677 CE MET A 46 1.326 -10.365 5.892 1.00 0.00 C ATOM 0 H MET A 46 2.773 -10.760 0.627 1.00 0.00 H new ATOM 0 HA MET A 46 2.044 -13.565 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.189 -11.309 1.916 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.270 -12.928 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.667 -12.044 3.423 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.857 -10.496 3.295 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.560 -10.140 6.634 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.284 -10.511 6.391 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.406 -9.535 5.190 1.00 0.00 H new ATOM 687 N GLU A 47 -0.131 -13.259 -0.309 1.00 0.00 N ATOM 688 CA GLU A 47 -0.988 -13.280 -1.488 1.00 0.00 C ATOM 689 C GLU A 47 -1.976 -12.117 -1.464 1.00 0.00 C ATOM 690 O GLU A 47 -2.463 -11.680 -2.507 1.00 0.00 O ATOM 691 CB GLU A 47 -1.748 -14.606 -1.571 1.00 0.00 C ATOM 692 CG GLU A 47 -0.850 -15.807 -1.818 1.00 0.00 C ATOM 693 CD GLU A 47 -0.355 -15.880 -3.249 1.00 0.00 C ATOM 694 OE1 GLU A 47 -1.201 -15.920 -4.167 1.00 0.00 O ATOM 695 OE2 GLU A 47 0.877 -15.898 -3.452 1.00 0.00 O ATOM 0 H GLU A 47 -0.411 -13.906 0.428 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.353 -13.177 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.298 -14.759 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.485 -14.543 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.005 -15.762 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.396 -16.720 -1.579 1.00 0.00 H new ATOM 702 N ASP A 48 -2.266 -11.620 -0.267 1.00 0.00 N ATOM 703 CA ASP A 48 -3.195 -10.507 -0.105 1.00 0.00 C ATOM 704 C ASP A 48 -2.551 -9.373 0.686 1.00 0.00 C ATOM 705 O ASP A 48 -3.124 -8.876 1.655 1.00 0.00 O ATOM 706 CB ASP A 48 -4.469 -10.977 0.598 1.00 0.00 C ATOM 707 CG ASP A 48 -4.187 -11.980 1.700 1.00 0.00 C ATOM 708 OD1 ASP A 48 -3.744 -13.103 1.380 1.00 0.00 O ATOM 709 OD2 ASP A 48 -4.409 -11.641 2.881 1.00 0.00 O ATOM 0 H ASP A 48 -1.871 -11.970 0.606 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.453 -10.134 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.987 -10.115 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.140 -11.426 -0.134 1.00 0.00 H new ATOM 714 N TRP A 49 -1.358 -8.969 0.266 1.00 0.00 N ATOM 715 CA TRP A 49 -0.635 -7.894 0.936 1.00 0.00 C ATOM 716 C TRP A 49 0.338 -7.213 -0.020 1.00 0.00 C ATOM 717 O TRP A 49 0.753 -7.799 -1.020 1.00 0.00 O ATOM 718 CB TRP A 49 0.120 -8.438 2.150 1.00 0.00 C ATOM 719 CG TRP A 49 -0.779 -8.816 3.288 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.562 -9.932 3.378 1.00 0.00 C ATOM 721 CD2 TRP A 49 -0.990 -8.077 4.496 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.246 -9.931 4.570 1.00 0.00 N ATOM 723 CE2 TRP A 49 -1.912 -8.805 5.274 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.488 -6.873 4.997 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.341 -8.366 6.524 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -0.915 -6.439 6.238 1.00 0.00 C ATOM 727 CH2 TRP A 49 -1.833 -7.183 6.990 1.00 0.00 C ATOM 0 H TRP A 49 -0.870 -9.369 -0.535 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.363 -7.155 1.271 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.698 -9.311 1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.832 -7.687 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.633 -10.702 2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.897 -10.652 4.880 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.221 -6.292 4.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.049 -8.938 7.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.534 -5.510 6.635 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.146 -6.816 7.956 1.00 0.00 H new ATOM 738 N VAL A 50 0.699 -5.973 0.293 1.00 0.00 N ATOM 739 CA VAL A 50 1.625 -5.213 -0.538 1.00 0.00 C ATOM 740 C VAL A 50 2.571 -4.377 0.316 1.00 0.00 C ATOM 741 O VAL A 50 2.301 -4.117 1.489 1.00 0.00 O ATOM 742 CB VAL A 50 0.874 -4.285 -1.512 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.347 -5.073 -2.701 1.00 0.00 C ATOM 744 CG2 VAL A 50 -0.258 -3.566 -0.794 1.00 0.00 C ATOM 0 H VAL A 50 0.364 -5.473 1.117 1.00 0.00 H new ATOM 0 HA VAL A 50 2.203 -5.938 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 50 1.572 -3.535 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.180 -4.401 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.180 -5.538 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.337 -5.846 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.778 -2.914 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.958 -4.299 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.150 -2.969 0.021 1.00 0.00 H new ATOM 754 N LYS A 51 3.682 -3.957 -0.280 1.00 0.00 N ATOM 755 CA LYS A 51 4.669 -3.147 0.425 1.00 0.00 C ATOM 756 C LYS A 51 4.649 -1.706 -0.076 1.00 0.00 C ATOM 757 O LYS A 51 4.941 -1.440 -1.241 1.00 0.00 O ATOM 758 CB LYS A 51 6.068 -3.741 0.244 1.00 0.00 C ATOM 759 CG LYS A 51 7.034 -3.370 1.356 1.00 0.00 C ATOM 760 CD LYS A 51 8.387 -4.035 1.165 1.00 0.00 C ATOM 761 CE LYS A 51 9.061 -4.320 2.498 1.00 0.00 C ATOM 762 NZ LYS A 51 8.708 -5.669 3.021 1.00 0.00 N ATOM 0 H LYS A 51 3.922 -4.164 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 51 4.414 -3.148 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.989 -4.827 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.477 -3.404 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.160 -2.288 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.615 -3.666 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.261 -4.967 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.028 -3.392 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.142 -4.247 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.767 -3.561 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.777 -5.668 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.736 -5.907 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.365 -6.375 2.631 1.00 0.00 H new ATOM 776 N ALA A 52 4.303 -0.781 0.813 1.00 0.00 N ATOM 777 CA ALA A 52 4.248 0.633 0.461 1.00 0.00 C ATOM 778 C ALA A 52 5.128 1.464 1.389 1.00 0.00 C ATOM 779 O ALA A 52 5.395 1.069 2.525 1.00 0.00 O ATOM 780 CB ALA A 52 2.811 1.132 0.506 1.00 0.00 C ATOM 0 H ALA A 52 4.057 -0.985 1.782 1.00 0.00 H new ATOM 0 HA ALA A 52 4.628 0.745 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.784 2.189 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.207 0.565 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.411 1.000 1.511 1.00 0.00 H new ATOM 786 N ARG A 53 5.577 2.614 0.898 1.00 0.00 N ATOM 787 CA ARG A 53 6.429 3.499 1.683 1.00 0.00 C ATOM 788 C ARG A 53 5.763 4.857 1.884 1.00 0.00 C ATOM 789 O ARG A 53 5.475 5.567 0.922 1.00 0.00 O ATOM 790 CB ARG A 53 7.783 3.680 0.996 1.00 0.00 C ATOM 791 CG ARG A 53 8.655 4.746 1.639 1.00 0.00 C ATOM 792 CD ARG A 53 9.662 5.313 0.651 1.00 0.00 C ATOM 793 NE ARG A 53 9.010 5.973 -0.477 1.00 0.00 N ATOM 794 CZ ARG A 53 8.414 7.157 -0.392 1.00 0.00 C ATOM 795 NH1 ARG A 53 8.389 7.808 0.763 1.00 0.00 N ATOM 796 NH2 ARG A 53 7.843 7.692 -1.463 1.00 0.00 N ATOM 0 H ARG A 53 5.365 2.955 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 53 6.584 3.041 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.317 2.730 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.618 3.940 -0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.026 5.550 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.182 4.320 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.310 6.025 1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.299 4.510 0.282 1.00 0.00 H new ATOM 0 HE ARG A 53 9.012 5.499 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.828 7.400 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.931 8.717 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.861 7.194 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.386 8.601 -1.397 1.00 0.00 H new ATOM 810 N ASN A 54 5.520 5.211 3.142 1.00 0.00 N ATOM 811 CA ASN A 54 4.887 6.484 3.470 1.00 0.00 C ATOM 812 C ASN A 54 5.868 7.639 3.300 1.00 0.00 C ATOM 813 O ASN A 54 6.998 7.448 2.850 1.00 0.00 O ATOM 814 CB ASN A 54 4.354 6.458 4.904 1.00 0.00 C ATOM 815 CG ASN A 54 5.261 5.686 5.843 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.397 5.361 5.500 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.761 5.390 7.037 1.00 0.00 N ATOM 0 H ASN A 54 5.752 4.635 3.951 1.00 0.00 H new ATOM 0 HA ASN A 54 4.054 6.635 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.245 7.480 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.361 6.009 4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.325 4.873 7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.813 5.680 7.279 1.00 0.00 H new ATOM 824 N LYS A 55 5.430 8.839 3.665 1.00 0.00 N ATOM 825 CA LYS A 55 6.269 10.027 3.556 1.00 0.00 C ATOM 826 C LYS A 55 7.494 9.912 4.457 1.00 0.00 C ATOM 827 O LYS A 55 8.599 10.295 4.072 1.00 0.00 O ATOM 828 CB LYS A 55 5.467 11.278 3.924 1.00 0.00 C ATOM 829 CG LYS A 55 5.025 11.311 5.377 1.00 0.00 C ATOM 830 CD LYS A 55 6.059 11.992 6.259 1.00 0.00 C ATOM 831 CE LYS A 55 6.010 13.504 6.110 1.00 0.00 C ATOM 832 NZ LYS A 55 7.117 14.171 6.849 1.00 0.00 N ATOM 0 H LYS A 55 4.498 9.015 4.039 1.00 0.00 H new ATOM 0 HA LYS A 55 6.606 10.110 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.071 12.161 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.587 11.337 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.074 11.837 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.857 10.294 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.884 11.722 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.054 11.632 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.069 13.767 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.053 13.874 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.048 15.201 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.047 13.941 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.031 13.837 6.481 1.00 0.00 H new ATOM 846 N VAL A 56 7.292 9.380 5.659 1.00 0.00 N ATOM 847 CA VAL A 56 8.381 9.212 6.614 1.00 0.00 C ATOM 848 C VAL A 56 9.445 8.265 6.072 1.00 0.00 C ATOM 849 O VAL A 56 10.534 8.151 6.634 1.00 0.00 O ATOM 850 CB VAL A 56 7.867 8.673 7.962 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.145 9.766 8.735 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.957 7.473 7.743 1.00 0.00 C ATOM 0 H VAL A 56 6.384 9.058 5.994 1.00 0.00 H new ATOM 0 HA VAL A 56 8.821 10.197 6.770 1.00 0.00 H new ATOM 0 HB VAL A 56 8.723 8.349 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.789 9.366 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.831 10.592 8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.297 10.125 8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.603 7.105 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.105 7.770 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.511 6.684 7.234 1.00 0.00 H new ATOM 862 N GLY A 57 9.123 7.587 4.975 1.00 0.00 N ATOM 863 CA GLY A 57 10.063 6.658 4.374 1.00 0.00 C ATOM 864 C GLY A 57 9.910 5.249 4.913 1.00 0.00 C ATOM 865 O GLY A 57 10.526 4.314 4.404 1.00 0.00 O ATOM 0 H GLY A 57 8.228 7.664 4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.919 6.648 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.080 7.005 4.557 1.00 0.00 H new ATOM 869 N GLN A 58 9.088 5.099 5.947 1.00 0.00 N ATOM 870 CA GLN A 58 8.859 3.794 6.556 1.00 0.00 C ATOM 871 C GLN A 58 8.275 2.815 5.543 1.00 0.00 C ATOM 872 O GLN A 58 7.489 3.198 4.676 1.00 0.00 O ATOM 873 CB GLN A 58 7.920 3.926 7.756 1.00 0.00 C ATOM 874 CG GLN A 58 8.643 4.164 9.072 1.00 0.00 C ATOM 875 CD GLN A 58 8.988 2.874 9.789 1.00 0.00 C ATOM 876 OE1 GLN A 58 8.218 1.914 9.770 1.00 0.00 O ATOM 877 NE2 GLN A 58 10.152 2.845 10.428 1.00 0.00 N ATOM 0 H GLN A 58 8.570 5.864 6.380 1.00 0.00 H new ATOM 0 HA GLN A 58 9.819 3.406 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.229 4.750 7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.321 3.019 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.558 4.726 8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.018 4.779 9.719 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.760 3.664 10.418 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.438 2.004 10.929 1.00 0.00 H new ATOM 886 N VAL A 59 8.664 1.549 5.658 1.00 0.00 N ATOM 887 CA VAL A 59 8.178 0.515 4.752 1.00 0.00 C ATOM 888 C VAL A 59 7.664 -0.695 5.525 1.00 0.00 C ATOM 889 O VAL A 59 8.343 -1.213 6.411 1.00 0.00 O ATOM 890 CB VAL A 59 9.281 0.058 3.779 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.709 -0.876 2.724 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.952 1.260 3.132 1.00 0.00 C ATOM 0 H VAL A 59 9.314 1.215 6.369 1.00 0.00 H new ATOM 0 HA VAL A 59 7.359 0.953 4.181 1.00 0.00 H new ATOM 0 HB VAL A 59 10.035 -0.490 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.503 -1.188 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.280 -1.753 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.934 -0.357 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.729 0.919 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.210 1.837 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.399 1.887 3.904 1.00 0.00 H new ATOM 902 N GLY A 60 6.459 -1.140 5.183 1.00 0.00 N ATOM 903 CA GLY A 60 5.874 -2.286 5.854 1.00 0.00 C ATOM 904 C GLY A 60 4.839 -2.992 5.000 1.00 0.00 C ATOM 905 O GLY A 60 4.488 -2.518 3.919 1.00 0.00 O ATOM 0 H GLY A 60 5.878 -0.728 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.663 -2.990 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.411 -1.960 6.786 1.00 0.00 H new ATOM 909 N TYR A 61 4.350 -4.128 5.485 1.00 0.00 N ATOM 910 CA TYR A 61 3.352 -4.902 4.756 1.00 0.00 C ATOM 911 C TYR A 61 1.941 -4.445 5.113 1.00 0.00 C ATOM 912 O TYR A 61 1.555 -4.435 6.282 1.00 0.00 O ATOM 913 CB TYR A 61 3.510 -6.393 5.063 1.00 0.00 C ATOM 914 CG TYR A 61 4.846 -6.960 4.641 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.299 -6.825 3.334 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.657 -7.629 5.549 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.519 -7.342 2.944 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.879 -8.148 5.168 1.00 0.00 C ATOM 919 CZ TYR A 61 7.306 -8.003 3.865 1.00 0.00 C ATOM 920 OH TYR A 61 8.523 -8.518 3.481 1.00 0.00 O ATOM 0 H TYR A 61 4.628 -4.533 6.379 1.00 0.00 H new ATOM 0 HA TYR A 61 3.509 -4.738 3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.380 -6.551 6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.716 -6.945 4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.687 -6.307 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.326 -7.745 6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.855 -7.230 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.497 -8.665 5.887 1.00 0.00 H new ATOM 0 HH TYR A 61 8.522 -9.490 3.608 1.00 0.00 H new ATOM 930 N VAL A 62 1.174 -4.067 4.095 1.00 0.00 N ATOM 931 CA VAL A 62 -0.196 -3.610 4.298 1.00 0.00 C ATOM 932 C VAL A 62 -1.159 -4.324 3.357 1.00 0.00 C ATOM 933 O VAL A 62 -0.799 -4.731 2.252 1.00 0.00 O ATOM 934 CB VAL A 62 -0.318 -2.090 4.084 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.525 -1.337 5.103 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.088 -1.718 2.666 1.00 0.00 C ATOM 0 H VAL A 62 1.478 -4.068 3.121 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.459 -3.846 5.329 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.360 -1.803 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.426 -0.264 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.183 -1.581 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.570 -1.626 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.004 -0.640 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.121 -2.018 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.562 -2.229 1.956 1.00 0.00 H new ATOM 946 N PRO A 63 -2.414 -4.480 3.802 1.00 0.00 N ATOM 947 CA PRO A 63 -3.457 -5.144 3.013 1.00 0.00 C ATOM 948 C PRO A 63 -3.884 -4.319 1.805 1.00 0.00 C ATOM 949 O PRO A 63 -4.046 -3.103 1.898 1.00 0.00 O ATOM 950 CB PRO A 63 -4.616 -5.283 4.003 1.00 0.00 C ATOM 951 CG PRO A 63 -4.403 -4.188 4.991 1.00 0.00 C ATOM 952 CD PRO A 63 -2.914 -4.020 5.108 1.00 0.00 C ATOM 0 HA PRO A 63 -3.114 -6.093 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.579 -5.183 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.609 -6.260 4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.875 -3.264 4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.844 -4.441 5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.641 -2.982 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.506 -4.614 5.926 1.00 0.00 H new ATOM 960 N GLU A 64 -4.065 -4.989 0.671 1.00 0.00 N ATOM 961 CA GLU A 64 -4.474 -4.315 -0.557 1.00 0.00 C ATOM 962 C GLU A 64 -5.986 -4.116 -0.591 1.00 0.00 C ATOM 963 O GLU A 64 -6.566 -3.852 -1.644 1.00 0.00 O ATOM 964 CB GLU A 64 -4.026 -5.119 -1.779 1.00 0.00 C ATOM 965 CG GLU A 64 -3.798 -4.268 -3.017 1.00 0.00 C ATOM 966 CD GLU A 64 -3.191 -5.055 -4.162 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.502 -6.258 -4.287 1.00 0.00 O ATOM 968 OE2 GLU A 64 -2.404 -4.468 -4.934 1.00 0.00 O ATOM 0 H GLU A 64 -3.935 -5.996 0.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.996 -3.336 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.104 -5.648 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.779 -5.875 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.747 -3.839 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.141 -3.435 -2.765 1.00 0.00 H new ATOM 975 N LYS A 65 -6.620 -4.246 0.570 1.00 0.00 N ATOM 976 CA LYS A 65 -8.065 -4.080 0.675 1.00 0.00 C ATOM 977 C LYS A 65 -8.417 -2.685 1.181 1.00 0.00 C ATOM 978 O LYS A 65 -9.515 -2.184 0.935 1.00 0.00 O ATOM 979 CB LYS A 65 -8.653 -5.137 1.613 1.00 0.00 C ATOM 980 CG LYS A 65 -8.497 -4.798 3.085 1.00 0.00 C ATOM 981 CD LYS A 65 -8.421 -6.052 3.941 1.00 0.00 C ATOM 982 CE LYS A 65 -9.806 -6.584 4.275 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.563 -6.969 3.051 1.00 0.00 N ATOM 0 H LYS A 65 -6.156 -4.466 1.451 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.493 -4.206 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.712 -5.262 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.170 -6.094 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.595 -4.203 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.338 -4.185 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.853 -6.819 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.882 -5.832 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.714 -7.449 4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.364 -5.825 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.205 -7.756 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.116 -6.155 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.897 -7.265 2.309 1.00 0.00 H new ATOM 997 N TYR A 66 -7.479 -2.062 1.886 1.00 0.00 N ATOM 998 CA TYR A 66 -7.691 -0.724 2.426 1.00 0.00 C ATOM 999 C TYR A 66 -7.043 0.332 1.536 1.00 0.00 C ATOM 1000 O TYR A 66 -7.209 1.533 1.756 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.127 -0.629 3.844 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.807 -1.552 4.830 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -9.183 -1.745 4.795 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.075 -2.229 5.797 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -9.809 -2.586 5.695 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -7.692 -3.074 6.699 1.00 0.00 C ATOM 1007 CZ TYR A 66 -9.059 -3.249 6.644 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.678 -4.088 7.542 1.00 0.00 O ATOM 0 H TYR A 66 -6.565 -2.462 2.097 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.765 -0.538 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.062 -0.860 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.222 0.398 4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.773 -1.229 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.005 -2.092 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.879 -2.723 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.107 -3.595 7.443 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.008 -4.477 8.142 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.304 -0.124 0.531 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.630 0.780 -0.395 1.00 0.00 C ATOM 1020 C LEU A 67 -6.476 1.011 -1.643 1.00 0.00 C ATOM 1021 O LEU A 67 -7.110 0.089 -2.153 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.264 0.215 -0.787 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.220 0.146 0.328 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -2.000 -0.637 -0.131 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.822 1.546 0.771 1.00 0.00 C ATOM 0 H LEU A 67 -6.156 -1.114 0.336 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.489 1.737 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.409 -0.790 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.861 0.823 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.659 -0.373 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.268 -0.676 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.298 -1.651 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.558 -0.147 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.078 1.479 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.401 2.090 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.701 2.074 1.141 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.477 2.248 -2.130 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.243 2.599 -3.320 1.00 0.00 C ATOM 1039 C GLN A 68 -6.326 2.772 -4.526 1.00 0.00 C ATOM 1040 O GLN A 68 -5.819 3.865 -4.782 1.00 0.00 O ATOM 1041 CB GLN A 68 -8.037 3.884 -3.080 1.00 0.00 C ATOM 1042 CG GLN A 68 -9.064 4.176 -4.162 1.00 0.00 C ATOM 1043 CD GLN A 68 -10.235 3.214 -4.131 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.356 2.394 -3.220 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -11.107 3.310 -5.128 1.00 0.00 N ATOM 0 H GLN A 68 -5.956 3.023 -1.719 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.937 1.785 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.545 3.813 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.344 4.722 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.433 5.195 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.582 4.124 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.968 4.004 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.916 2.690 -5.159 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.117 1.687 -5.264 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.259 1.719 -6.444 1.00 0.00 C ATOM 1056 C PHE A 69 -5.917 2.507 -7.573 1.00 0.00 C ATOM 1057 O PHE A 69 -7.138 2.653 -7.634 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.949 0.296 -6.913 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.931 -0.407 -6.061 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -4.130 -0.551 -4.697 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.775 -0.924 -6.624 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -3.195 -1.198 -3.911 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.838 -1.572 -5.842 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.047 -1.708 -4.484 1.00 0.00 C ATOM 0 H PHE A 69 -6.529 0.775 -5.067 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.328 2.216 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.871 -0.285 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.589 0.331 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.026 -0.153 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.605 -0.819 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.362 -1.305 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.942 -1.972 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.314 -2.212 -3.871 1.00 0.00 H new ATOM 1074 N PRO A 70 -5.088 3.028 -8.490 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.566 3.810 -9.635 1.00 0.00 C ATOM 1076 C PRO A 70 -6.311 2.953 -10.652 1.00 0.00 C ATOM 1077 O PRO A 70 -5.720 2.093 -11.307 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.278 4.367 -10.246 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.217 3.404 -9.836 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.622 2.894 -8.481 1.00 0.00 C ATOM 0 HA PRO A 70 -6.279 4.578 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.352 4.436 -11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.066 5.370 -9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.134 2.586 -10.552 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.243 3.891 -9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.314 1.859 -8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.170 3.479 -7.680 1.00 0.00 H new ATOM 1088 N THR A 71 -7.612 3.192 -10.781 1.00 0.00 N ATOM 1089 CA THR A 71 -8.438 2.441 -11.718 1.00 0.00 C ATOM 1090 C THR A 71 -7.754 2.315 -13.074 1.00 0.00 C ATOM 1091 O THR A 71 -7.829 1.271 -13.723 1.00 0.00 O ATOM 1092 CB THR A 71 -9.815 3.105 -11.910 1.00 0.00 C ATOM 1093 OG1 THR A 71 -9.651 4.443 -12.393 1.00 0.00 O ATOM 1094 CG2 THR A 71 -10.593 3.125 -10.603 1.00 0.00 C ATOM 0 H THR A 71 -8.117 3.900 -10.248 1.00 0.00 H new ATOM 0 HA THR A 71 -8.578 1.448 -11.291 1.00 0.00 H new ATOM 0 HB THR A 71 -10.376 2.522 -12.640 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.531 4.857 -12.514 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.562 3.598 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.742 2.104 -10.253 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.034 3.687 -9.855 1.00 0.00 H new ATOM 1102 N SER A 72 -7.087 3.384 -13.498 1.00 0.00 N ATOM 1103 CA SER A 72 -6.392 3.393 -14.779 1.00 0.00 C ATOM 1104 C SER A 72 -4.937 3.818 -14.605 1.00 0.00 C ATOM 1105 O SER A 72 -4.590 4.981 -14.811 1.00 0.00 O ATOM 1106 CB SER A 72 -7.096 4.333 -15.759 1.00 0.00 C ATOM 1107 OG SER A 72 -8.219 3.704 -16.353 1.00 0.00 O ATOM 0 H SER A 72 -7.014 4.255 -12.972 1.00 0.00 H new ATOM 0 HA SER A 72 -6.411 2.380 -15.181 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.415 5.235 -15.237 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.397 4.644 -16.535 1.00 0.00 H new ATOM 0 HG SER A 72 -8.652 4.326 -16.974 1.00 0.00 H new ATOM 1113 N SER A 73 -4.091 2.867 -14.224 1.00 0.00 N ATOM 1114 CA SER A 73 -2.674 3.142 -14.018 1.00 0.00 C ATOM 1115 C SER A 73 -2.161 4.148 -15.044 1.00 0.00 C ATOM 1116 O SER A 73 -1.283 4.958 -14.751 1.00 0.00 O ATOM 1117 CB SER A 73 -1.863 1.848 -14.107 1.00 0.00 C ATOM 1118 OG SER A 73 -2.091 1.187 -15.340 1.00 0.00 O ATOM 0 H SER A 73 -4.362 1.899 -14.052 1.00 0.00 H new ATOM 0 HA SER A 73 -2.554 3.570 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.802 2.072 -14.002 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.133 1.189 -13.282 1.00 0.00 H new ATOM 0 HG SER A 73 -1.560 0.364 -15.373 1.00 0.00 H new ATOM 1124 N GLY A 74 -2.717 4.089 -16.251 1.00 0.00 N ATOM 1125 CA GLY A 74 -2.304 5.000 -17.303 1.00 0.00 C ATOM 1126 C GLY A 74 -3.177 4.893 -18.537 1.00 0.00 C ATOM 1127 O GLY A 74 -3.687 3.824 -18.872 1.00 0.00 O ATOM 0 H GLY A 74 -3.445 3.427 -16.519 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.335 6.023 -16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.269 4.792 -17.574 1.00 0.00 H new ATOM 1131 N PRO A 75 -3.361 6.023 -19.236 1.00 0.00 N ATOM 1132 CA PRO A 75 -4.179 6.078 -20.451 1.00 0.00 C ATOM 1133 C PRO A 75 -3.532 5.344 -21.620 1.00 0.00 C ATOM 1134 O PRO A 75 -2.494 5.765 -22.131 1.00 0.00 O ATOM 1135 CB PRO A 75 -4.274 7.577 -20.747 1.00 0.00 C ATOM 1136 CG PRO A 75 -3.059 8.165 -20.117 1.00 0.00 C ATOM 1137 CD PRO A 75 -2.783 7.334 -18.895 1.00 0.00 C ATOM 0 HA PRO A 75 -5.146 5.595 -20.313 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.296 7.768 -21.820 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.184 8.006 -20.328 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.213 8.142 -20.804 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.224 9.209 -19.850 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.715 7.261 -18.691 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.249 7.760 -18.006 1.00 0.00 H new ATOM 1145 N SER A 76 -4.151 4.245 -22.039 1.00 0.00 N ATOM 1146 CA SER A 76 -3.633 3.451 -23.147 1.00 0.00 C ATOM 1147 C SER A 76 -4.663 3.343 -24.267 1.00 0.00 C ATOM 1148 O SER A 76 -5.267 2.290 -24.471 1.00 0.00 O ATOM 1149 CB SER A 76 -3.243 2.053 -22.661 1.00 0.00 C ATOM 1150 OG SER A 76 -2.182 2.116 -21.725 1.00 0.00 O ATOM 0 H SER A 76 -5.012 3.884 -21.628 1.00 0.00 H new ATOM 0 HA SER A 76 -2.748 3.953 -23.539 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.107 1.569 -22.204 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.946 1.439 -23.511 1.00 0.00 H new ATOM 0 HG SER A 76 -1.953 1.210 -21.429 1.00 0.00 H new ATOM 1156 N SER A 77 -4.857 4.441 -24.991 1.00 0.00 N ATOM 1157 CA SER A 77 -5.816 4.473 -26.089 1.00 0.00 C ATOM 1158 C SER A 77 -5.104 4.387 -27.435 1.00 0.00 C ATOM 1159 O SER A 77 -4.418 5.321 -27.848 1.00 0.00 O ATOM 1160 CB SER A 77 -6.656 5.751 -26.023 1.00 0.00 C ATOM 1161 OG SER A 77 -7.930 5.554 -26.611 1.00 0.00 O ATOM 0 H SER A 77 -4.363 5.320 -24.837 1.00 0.00 H new ATOM 0 HA SER A 77 -6.473 3.609 -25.990 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.775 6.059 -24.984 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.136 6.559 -26.537 1.00 0.00 H new ATOM 0 HG SER A 77 -8.448 6.384 -26.555 1.00 0.00 H new ATOM 1167 N GLY A 78 -5.273 3.258 -28.116 1.00 0.00 N ATOM 1168 CA GLY A 78 -4.641 3.069 -29.409 1.00 0.00 C ATOM 1169 C GLY A 78 -4.089 1.668 -29.585 1.00 0.00 C ATOM 1170 O GLY A 78 -3.631 1.306 -30.669 1.00 0.00 O ATOM 0 H GLY A 78 -5.836 2.470 -27.795 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.366 3.272 -30.197 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.833 3.792 -29.524 1.00 0.00 H new TER 1174 GLY A 78