USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= -3.75! C(o=-2.7!,f=-6.7!) USER MOD Set 1.2: A 90 SER OG : rot 86:sc= 1.03 USER MOD Set 2.1: A 30 SER OG : rot 40:sc= 0.244 USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= -1.57 F(o=-4.6!,f=-1.4) USER MOD Set 2.3: A 86 SER OG : rot -170:sc= -0.117 USER MOD Set 3.1: A 40 TYR OH : rot 147:sc= 0.615 USER MOD Set 3.2: A 50 GLN : amide:sc= -2.05 K(o=-1.4,f=-2.3) USER MOD Set 4.1: A 21 SER OG : rot -68:sc= 0.299 USER MOD Set 4.2: A 62 ASN : amide:sc= -0.653 K(o=-0.35,f=-4.4) USER MOD Single : A 1 GLY N :NH3+ -132:sc= -1.68! (180deg=-4.8!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.013) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.445 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 79:sc= -2.48! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.0352 USER MOD Single : A 34 SER OG : rot -170:sc=-0.000183 USER MOD Single : A 43 SER OG : rot 98:sc= -2.7 USER MOD Single : A 51 TYR OH : rot 36:sc= 0.651 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -2.21! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= -4.19! USER MOD Single : A 85 GLN : amide:sc= -5.27! C(o=-5.3!,f=-12!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -2.86! C(o=-4.7!,f=-2.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -160:sc= -0.468 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.997 -13.871 -34.000 1.00 0.00 N ATOM 2 CA GLY A 1 -6.925 -12.988 -34.542 1.00 0.00 C ATOM 3 C GLY A 1 -6.462 -12.014 -33.461 1.00 0.00 C ATOM 4 O GLY A 1 -5.276 -11.956 -33.130 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.784 -14.861 -34.237 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.045 -13.765 -32.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.911 -13.604 -34.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.084 -13.590 -34.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.297 -12.437 -35.406 1.00 0.00 H new ATOM 10 N PRO A 2 -7.372 -11.255 -32.910 1.00 0.00 N ATOM 11 CA PRO A 2 -7.055 -10.259 -31.842 1.00 0.00 C ATOM 12 C PRO A 2 -6.395 -10.909 -30.623 1.00 0.00 C ATOM 13 O PRO A 2 -6.668 -12.067 -30.304 1.00 0.00 O ATOM 14 CB PRO A 2 -8.417 -9.659 -31.467 1.00 0.00 C ATOM 15 CG PRO A 2 -9.345 -9.999 -32.589 1.00 0.00 C ATOM 16 CD PRO A 2 -8.802 -11.265 -33.248 1.00 0.00 C ATOM 0 HA PRO A 2 -6.342 -9.512 -32.190 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.778 -10.071 -30.525 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.344 -8.579 -31.336 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.357 -10.161 -32.217 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.397 -9.181 -33.308 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.297 -12.158 -32.866 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.957 -11.252 -34.327 1.00 0.00 H new ATOM 24 N LEU A 3 -5.525 -10.159 -29.948 1.00 0.00 N ATOM 25 CA LEU A 3 -4.836 -10.679 -28.769 1.00 0.00 C ATOM 26 C LEU A 3 -5.841 -11.138 -27.714 1.00 0.00 C ATOM 27 O LEU A 3 -5.623 -12.137 -27.030 1.00 0.00 O ATOM 28 CB LEU A 3 -3.916 -9.604 -28.177 1.00 0.00 C ATOM 29 CG LEU A 3 -4.317 -8.225 -28.708 1.00 0.00 C ATOM 30 CD1 LEU A 3 -3.785 -7.141 -27.767 1.00 0.00 C ATOM 31 CD2 LEU A 3 -3.721 -8.018 -30.103 1.00 0.00 C ATOM 0 H LEU A 3 -5.283 -9.199 -30.194 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.236 -11.536 -29.075 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.980 -9.617 -27.089 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.879 -9.816 -28.438 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.404 -8.163 -28.763 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.070 -6.159 -28.145 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.207 -7.284 -26.772 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.698 -7.207 -27.713 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.008 -7.036 -30.479 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.634 -8.082 -30.048 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.096 -8.788 -30.777 1.00 0.00 H new ATOM 43 N GLY A 4 -6.947 -10.406 -27.593 1.00 0.00 N ATOM 44 CA GLY A 4 -7.983 -10.754 -26.626 1.00 0.00 C ATOM 45 C GLY A 4 -7.710 -10.122 -25.266 1.00 0.00 C ATOM 46 O GLY A 4 -8.428 -10.378 -24.297 1.00 0.00 O ATOM 0 H GLY A 4 -7.147 -9.574 -28.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.953 -10.422 -26.995 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.036 -11.838 -26.521 1.00 0.00 H new ATOM 50 N SER A 5 -6.675 -9.294 -25.193 1.00 0.00 N ATOM 51 CA SER A 5 -6.339 -8.642 -23.937 1.00 0.00 C ATOM 52 C SER A 5 -6.692 -7.161 -23.988 1.00 0.00 C ATOM 53 O SER A 5 -6.200 -6.420 -24.841 1.00 0.00 O ATOM 54 CB SER A 5 -4.850 -8.796 -23.643 1.00 0.00 C ATOM 55 OG SER A 5 -4.635 -8.650 -22.245 1.00 0.00 O ATOM 0 H SER A 5 -6.064 -9.062 -25.976 1.00 0.00 H new ATOM 0 HA SER A 5 -6.917 -9.118 -23.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.500 -9.772 -23.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.279 -8.047 -24.192 1.00 0.00 H new ATOM 0 HG SER A 5 -3.680 -8.750 -22.049 1.00 0.00 H new ATOM 61 N HIS A 6 -7.539 -6.737 -23.061 1.00 0.00 N ATOM 62 CA HIS A 6 -7.951 -5.342 -22.985 1.00 0.00 C ATOM 63 C HIS A 6 -7.530 -4.760 -21.642 1.00 0.00 C ATOM 64 O HIS A 6 -7.785 -3.593 -21.343 1.00 0.00 O ATOM 65 CB HIS A 6 -9.465 -5.241 -23.170 1.00 0.00 C ATOM 66 CG HIS A 6 -9.817 -5.782 -24.526 1.00 0.00 C ATOM 67 ND1 HIS A 6 -10.167 -4.961 -25.587 1.00 0.00 N ATOM 68 CD2 HIS A 6 -9.848 -7.063 -25.016 1.00 0.00 C ATOM 69 CE1 HIS A 6 -10.390 -5.751 -26.654 1.00 0.00 C ATOM 70 NE2 HIS A 6 -10.208 -7.042 -26.359 1.00 0.00 N ATOM 0 H HIS A 6 -7.955 -7.339 -22.350 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.468 -4.771 -23.778 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.980 -5.805 -22.392 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.789 -4.204 -23.080 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.626 -7.953 -24.445 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.680 -5.387 -27.628 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.311 -7.841 -26.985 1.00 0.00 H new ATOM 79 N LEU A 7 -6.866 -5.591 -20.845 1.00 0.00 N ATOM 80 CA LEU A 7 -6.381 -5.175 -19.536 1.00 0.00 C ATOM 81 C LEU A 7 -5.265 -4.148 -19.692 1.00 0.00 C ATOM 82 O LEU A 7 -4.822 -3.866 -20.806 1.00 0.00 O ATOM 83 CB LEU A 7 -5.841 -6.384 -18.766 1.00 0.00 C ATOM 84 CG LEU A 7 -6.941 -7.434 -18.607 1.00 0.00 C ATOM 85 CD1 LEU A 7 -6.409 -8.610 -17.780 1.00 0.00 C ATOM 86 CD2 LEU A 7 -8.136 -6.802 -17.891 1.00 0.00 C ATOM 0 H LEU A 7 -6.652 -6.559 -21.085 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.211 -4.732 -18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.991 -6.813 -19.296 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.481 -6.071 -17.786 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.251 -7.795 -19.588 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.193 -9.359 -17.666 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.553 -9.055 -18.288 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.102 -8.254 -16.797 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.925 -7.545 -17.774 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.825 -6.445 -16.909 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.511 -5.964 -18.479 1.00 0.00 H new ATOM 98 N VAL A 8 -4.806 -3.600 -18.572 1.00 0.00 N ATOM 99 CA VAL A 8 -3.730 -2.617 -18.603 1.00 0.00 C ATOM 100 C VAL A 8 -2.529 -3.180 -19.351 1.00 0.00 C ATOM 101 O VAL A 8 -2.242 -4.374 -19.272 1.00 0.00 O ATOM 102 CB VAL A 8 -3.299 -2.256 -17.181 1.00 0.00 C ATOM 103 CG1 VAL A 8 -2.246 -1.145 -17.225 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.512 -1.779 -16.382 1.00 0.00 C ATOM 0 H VAL A 8 -5.158 -3.817 -17.640 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.097 -1.725 -19.111 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.873 -3.137 -16.702 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.942 -0.891 -16.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.378 -1.488 -17.788 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.667 -0.264 -17.709 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.202 -1.522 -15.369 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.942 -0.901 -16.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.257 -2.573 -16.343 1.00 0.00 H new ATOM 114 N ALA A 9 -1.828 -2.315 -20.072 1.00 0.00 N ATOM 115 CA ALA A 9 -0.658 -2.744 -20.826 1.00 0.00 C ATOM 116 C ALA A 9 0.052 -3.883 -20.103 1.00 0.00 C ATOM 117 O ALA A 9 -0.076 -4.034 -18.888 1.00 0.00 O ATOM 118 CB ALA A 9 0.306 -1.569 -20.991 1.00 0.00 C ATOM 0 H ALA A 9 -2.046 -1.322 -20.151 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.983 -3.094 -21.806 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.181 -1.892 -21.555 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.193 -0.761 -21.526 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.619 -1.214 -20.009 1.00 0.00 H new ATOM 124 N THR A 10 0.798 -4.686 -20.855 1.00 0.00 N ATOM 125 CA THR A 10 1.513 -5.808 -20.264 1.00 0.00 C ATOM 126 C THR A 10 2.600 -5.308 -19.321 1.00 0.00 C ATOM 127 O THR A 10 3.329 -4.367 -19.635 1.00 0.00 O ATOM 128 CB THR A 10 2.146 -6.670 -21.359 1.00 0.00 C ATOM 129 OG1 THR A 10 1.166 -6.983 -22.340 1.00 0.00 O ATOM 130 CG2 THR A 10 2.681 -7.962 -20.736 1.00 0.00 C ATOM 0 H THR A 10 0.922 -4.582 -21.862 1.00 0.00 H new ATOM 0 HA THR A 10 0.799 -6.409 -19.700 1.00 0.00 H new ATOM 0 HB THR A 10 2.965 -6.125 -21.829 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.571 -7.534 -23.043 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.133 -8.580 -21.512 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.430 -7.719 -19.983 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.861 -8.508 -20.269 1.00 0.00 H new ATOM 138 N SER A 11 2.695 -5.947 -18.161 1.00 0.00 N ATOM 139 CA SER A 11 3.686 -5.570 -17.164 1.00 0.00 C ATOM 140 C SER A 11 3.847 -6.696 -16.149 1.00 0.00 C ATOM 141 O SER A 11 3.133 -7.696 -16.208 1.00 0.00 O ATOM 142 CB SER A 11 3.244 -4.294 -16.446 1.00 0.00 C ATOM 143 OG SER A 11 2.229 -4.612 -15.504 1.00 0.00 O ATOM 0 H SER A 11 2.098 -6.728 -17.889 1.00 0.00 H new ATOM 0 HA SER A 11 4.639 -5.390 -17.661 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.094 -3.834 -15.941 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.871 -3.567 -17.168 1.00 0.00 H new ATOM 0 HG SER A 11 1.945 -3.796 -15.041 1.00 0.00 H new ATOM 149 N GLU A 12 4.781 -6.533 -15.219 1.00 0.00 N ATOM 150 CA GLU A 12 5.005 -7.553 -14.200 1.00 0.00 C ATOM 151 C GLU A 12 3.962 -7.405 -13.098 1.00 0.00 C ATOM 152 O GLU A 12 4.033 -8.067 -12.063 1.00 0.00 O ATOM 153 CB GLU A 12 6.407 -7.409 -13.599 1.00 0.00 C ATOM 154 CG GLU A 12 6.786 -8.699 -12.865 1.00 0.00 C ATOM 155 CD GLU A 12 8.043 -8.476 -12.033 1.00 0.00 C ATOM 156 OE1 GLU A 12 8.529 -7.357 -12.017 1.00 0.00 O ATOM 157 OE2 GLU A 12 8.499 -9.424 -11.417 1.00 0.00 O ATOM 0 H GLU A 12 5.388 -5.716 -15.149 1.00 0.00 H new ATOM 0 HA GLU A 12 4.919 -8.537 -14.661 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.131 -7.200 -14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.433 -6.565 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.965 -9.015 -12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.954 -9.501 -13.584 1.00 0.00 H new ATOM 164 N SER A 13 2.993 -6.526 -13.328 1.00 0.00 N ATOM 165 CA SER A 13 1.942 -6.292 -12.349 1.00 0.00 C ATOM 166 C SER A 13 2.550 -5.929 -11.001 1.00 0.00 C ATOM 167 O SER A 13 2.508 -4.775 -10.578 1.00 0.00 O ATOM 168 CB SER A 13 1.083 -7.547 -12.206 1.00 0.00 C ATOM 169 OG SER A 13 -0.250 -7.251 -12.597 1.00 0.00 O ATOM 0 H SER A 13 2.915 -5.968 -14.178 1.00 0.00 H new ATOM 0 HA SER A 13 1.320 -5.464 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.486 -8.349 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.102 -7.899 -11.175 1.00 0.00 H new ATOM 0 HG SER A 13 -0.803 -8.055 -12.508 1.00 0.00 H new ATOM 175 N VAL A 14 3.119 -6.926 -10.336 1.00 0.00 N ATOM 176 CA VAL A 14 3.744 -6.713 -9.038 1.00 0.00 C ATOM 177 C VAL A 14 5.256 -6.622 -9.179 1.00 0.00 C ATOM 178 O VAL A 14 5.863 -7.355 -9.961 1.00 0.00 O ATOM 179 CB VAL A 14 3.387 -7.858 -8.088 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.917 -7.745 -7.684 1.00 0.00 C ATOM 181 CG2 VAL A 14 3.622 -9.200 -8.791 1.00 0.00 C ATOM 0 H VAL A 14 3.160 -7.888 -10.673 1.00 0.00 H new ATOM 0 HA VAL A 14 3.371 -5.774 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 14 4.014 -7.800 -7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.662 -8.560 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.750 -6.792 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.290 -7.802 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.367 -10.015 -8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.996 -9.259 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.670 -9.281 -9.079 1.00 0.00 H new ATOM 191 N THR A 15 5.860 -5.715 -8.419 1.00 0.00 N ATOM 192 CA THR A 15 7.304 -5.532 -8.468 1.00 0.00 C ATOM 193 C THR A 15 7.878 -5.454 -7.062 1.00 0.00 C ATOM 194 O THR A 15 7.759 -6.393 -6.277 1.00 0.00 O ATOM 195 CB THR A 15 7.652 -4.247 -9.224 1.00 0.00 C ATOM 196 OG1 THR A 15 7.149 -4.327 -10.549 1.00 0.00 O ATOM 197 CG2 THR A 15 9.172 -4.066 -9.264 1.00 0.00 C ATOM 0 H THR A 15 5.375 -5.099 -7.766 1.00 0.00 H new ATOM 0 HA THR A 15 7.736 -6.387 -8.987 1.00 0.00 H new ATOM 0 HB THR A 15 7.202 -3.395 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.370 -3.504 -11.033 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.415 -3.150 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.558 -4.002 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.627 -4.917 -9.771 1.00 0.00 H new ATOM 205 N GLU A 16 8.494 -4.314 -6.769 1.00 0.00 N ATOM 206 CA GLU A 16 9.104 -4.054 -5.471 1.00 0.00 C ATOM 207 C GLU A 16 9.056 -5.275 -4.560 1.00 0.00 C ATOM 208 O GLU A 16 8.557 -5.200 -3.437 1.00 0.00 O ATOM 209 CB GLU A 16 8.383 -2.882 -4.808 1.00 0.00 C ATOM 210 CG GLU A 16 8.466 -1.659 -5.726 1.00 0.00 C ATOM 211 CD GLU A 16 9.910 -1.183 -5.832 1.00 0.00 C ATOM 212 OE1 GLU A 16 10.717 -1.624 -5.032 1.00 0.00 O ATOM 213 OE2 GLU A 16 10.187 -0.381 -6.711 1.00 0.00 O ATOM 0 H GLU A 16 8.584 -3.541 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 16 10.155 -3.812 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.341 -3.140 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.837 -2.659 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.084 -1.910 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.838 -0.858 -5.336 1.00 0.00 H new ATOM 220 N ILE A 17 9.594 -6.396 -5.034 1.00 0.00 N ATOM 221 CA ILE A 17 9.611 -7.602 -4.221 1.00 0.00 C ATOM 222 C ILE A 17 10.413 -7.337 -2.958 1.00 0.00 C ATOM 223 O ILE A 17 10.160 -7.928 -1.910 1.00 0.00 O ATOM 224 CB ILE A 17 10.240 -8.772 -4.980 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.418 -9.077 -6.235 1.00 0.00 C ATOM 226 CG2 ILE A 17 10.268 -10.006 -4.072 1.00 0.00 C ATOM 227 CD1 ILE A 17 10.124 -10.156 -7.063 1.00 0.00 C ATOM 0 H ILE A 17 10.015 -6.492 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 17 8.583 -7.867 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 17 11.256 -8.510 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.420 -9.414 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.294 -8.172 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.715 -10.843 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.858 -9.789 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.251 -10.265 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.537 -10.372 -7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.112 -9.802 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.225 -11.063 -6.468 1.00 0.00 H new ATOM 239 N THR A 18 11.382 -6.431 -3.069 1.00 0.00 N ATOM 240 CA THR A 18 12.215 -6.080 -1.930 1.00 0.00 C ATOM 241 C THR A 18 11.354 -5.992 -0.679 1.00 0.00 C ATOM 242 O THR A 18 10.201 -5.565 -0.742 1.00 0.00 O ATOM 243 CB THR A 18 12.898 -4.733 -2.178 1.00 0.00 C ATOM 244 OG1 THR A 18 13.691 -4.387 -1.053 1.00 0.00 O ATOM 245 CG2 THR A 18 11.836 -3.655 -2.403 1.00 0.00 C ATOM 0 H THR A 18 11.606 -5.932 -3.930 1.00 0.00 H new ATOM 0 HA THR A 18 12.978 -6.847 -1.795 1.00 0.00 H new ATOM 0 HB THR A 18 13.534 -4.808 -3.060 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.129 -3.525 -1.214 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.323 -2.696 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.228 -3.918 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.199 -3.582 -1.521 1.00 0.00 H new ATOM 253 N ALA A 19 11.903 -6.403 0.455 1.00 0.00 N ATOM 254 CA ALA A 19 11.147 -6.364 1.696 1.00 0.00 C ATOM 255 C ALA A 19 9.820 -7.085 1.515 1.00 0.00 C ATOM 256 O ALA A 19 8.894 -6.908 2.306 1.00 0.00 O ATOM 257 CB ALA A 19 10.891 -4.916 2.111 1.00 0.00 C ATOM 0 H ALA A 19 12.854 -6.762 0.541 1.00 0.00 H new ATOM 0 HA ALA A 19 11.725 -6.861 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.324 -4.899 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.843 -4.406 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.323 -4.409 1.331 1.00 0.00 H new ATOM 263 N SER A 20 9.733 -7.902 0.470 1.00 0.00 N ATOM 264 CA SER A 20 8.509 -8.641 0.205 1.00 0.00 C ATOM 265 C SER A 20 7.348 -7.673 0.004 1.00 0.00 C ATOM 266 O SER A 20 6.193 -7.998 0.282 1.00 0.00 O ATOM 267 CB SER A 20 8.212 -9.573 1.377 1.00 0.00 C ATOM 268 OG SER A 20 8.922 -9.124 2.525 1.00 0.00 O ATOM 0 H SER A 20 10.486 -8.066 -0.198 1.00 0.00 H new ATOM 0 HA SER A 20 8.636 -9.232 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.141 -9.590 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.506 -10.593 1.129 1.00 0.00 H new ATOM 0 HG SER A 20 8.449 -8.365 2.926 1.00 0.00 H new ATOM 274 N SER A 21 7.670 -6.475 -0.469 1.00 0.00 N ATOM 275 CA SER A 21 6.660 -5.448 -0.694 1.00 0.00 C ATOM 276 C SER A 21 5.617 -5.904 -1.712 1.00 0.00 C ATOM 277 O SER A 21 5.766 -6.944 -2.353 1.00 0.00 O ATOM 278 CB SER A 21 7.330 -4.173 -1.212 1.00 0.00 C ATOM 279 OG SER A 21 6.882 -3.916 -2.534 1.00 0.00 O ATOM 0 H SER A 21 8.621 -6.191 -0.704 1.00 0.00 H new ATOM 0 HA SER A 21 6.160 -5.258 0.256 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.088 -3.331 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.414 -4.286 -1.198 1.00 0.00 H new ATOM 0 HG SER A 21 7.235 -4.602 -3.138 1.00 0.00 H new ATOM 285 N PHE A 22 4.577 -5.090 -1.866 1.00 0.00 N ATOM 286 CA PHE A 22 3.515 -5.377 -2.825 1.00 0.00 C ATOM 287 C PHE A 22 3.150 -4.126 -3.598 1.00 0.00 C ATOM 288 O PHE A 22 3.229 -3.015 -3.079 1.00 0.00 O ATOM 289 CB PHE A 22 2.211 -5.813 -2.146 1.00 0.00 C ATOM 290 CG PHE A 22 2.321 -7.118 -1.406 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.966 -8.230 -1.966 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.718 -7.219 -0.151 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.003 -9.439 -1.260 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.760 -8.420 0.555 1.00 0.00 C ATOM 295 CZ PHE A 22 2.400 -9.531 0.001 1.00 0.00 C ATOM 0 H PHE A 22 4.447 -4.226 -1.339 1.00 0.00 H new ATOM 0 HA PHE A 22 3.907 -6.172 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.897 -5.036 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.430 -5.899 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.432 -8.155 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.217 -6.362 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.496 -10.300 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.298 -8.491 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.430 -10.463 0.546 1.00 0.00 H new ATOM 305 N VAL A 23 2.677 -4.329 -4.811 1.00 0.00 N ATOM 306 CA VAL A 23 2.211 -3.229 -5.629 1.00 0.00 C ATOM 307 C VAL A 23 0.763 -3.516 -5.990 1.00 0.00 C ATOM 308 O VAL A 23 0.476 -4.406 -6.790 1.00 0.00 O ATOM 309 CB VAL A 23 3.056 -3.077 -6.890 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.305 -2.197 -7.887 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.387 -2.413 -6.533 1.00 0.00 C ATOM 0 H VAL A 23 2.605 -5.246 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 23 2.296 -2.292 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 23 3.245 -4.057 -7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.901 -2.082 -8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.352 -2.662 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.125 -1.217 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.992 -2.304 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.199 -1.430 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.920 -3.031 -5.811 1.00 0.00 H new ATOM 321 N VAL A 24 -0.147 -2.793 -5.358 1.00 0.00 N ATOM 322 CA VAL A 24 -1.568 -3.012 -5.578 1.00 0.00 C ATOM 323 C VAL A 24 -2.218 -1.811 -6.249 1.00 0.00 C ATOM 324 O VAL A 24 -1.965 -0.666 -5.877 1.00 0.00 O ATOM 325 CB VAL A 24 -2.238 -3.286 -4.231 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.754 -3.354 -4.414 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.730 -4.620 -3.672 1.00 0.00 C ATOM 0 H VAL A 24 0.071 -2.052 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.693 -3.867 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.995 -2.482 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.228 -3.549 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.116 -2.405 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.001 -4.156 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.206 -4.817 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.972 -5.422 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.649 -4.570 -3.537 1.00 0.00 H new ATOM 337 N SER A 25 -3.066 -2.084 -7.239 1.00 0.00 N ATOM 338 CA SER A 25 -3.758 -1.022 -7.956 1.00 0.00 C ATOM 339 C SER A 25 -5.261 -1.245 -7.906 1.00 0.00 C ATOM 340 O SER A 25 -5.725 -2.379 -7.798 1.00 0.00 O ATOM 341 CB SER A 25 -3.287 -0.984 -9.409 1.00 0.00 C ATOM 342 OG SER A 25 -3.622 -2.213 -10.040 1.00 0.00 O ATOM 0 H SER A 25 -3.288 -3.027 -7.559 1.00 0.00 H new ATOM 0 HA SER A 25 -3.528 -0.069 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.756 -0.152 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.210 -0.821 -9.451 1.00 0.00 H new ATOM 0 HG SER A 25 -3.324 -2.194 -10.973 1.00 0.00 H new ATOM 348 N TRP A 26 -6.023 -0.160 -7.984 1.00 0.00 N ATOM 349 CA TRP A 26 -7.477 -0.268 -7.943 1.00 0.00 C ATOM 350 C TRP A 26 -8.126 0.791 -8.823 1.00 0.00 C ATOM 351 O TRP A 26 -7.464 1.424 -9.645 1.00 0.00 O ATOM 352 CB TRP A 26 -7.962 -0.092 -6.504 1.00 0.00 C ATOM 353 CG TRP A 26 -7.429 1.193 -5.955 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.990 2.412 -6.133 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.241 1.404 -5.139 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.216 3.360 -5.481 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.127 2.783 -4.852 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.260 0.537 -4.627 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.077 3.285 -4.082 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.201 1.038 -3.852 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.110 2.409 -3.580 1.00 0.00 C ATOM 0 H TRP A 26 -5.666 0.791 -8.075 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.759 -1.253 -8.316 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.052 -0.089 -6.473 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.628 -0.929 -5.891 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.892 2.613 -6.691 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.424 4.359 -5.467 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.321 -0.522 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.012 4.343 -3.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.453 0.363 -3.464 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.294 2.789 -2.983 1.00 0.00 H new ATOM 372 N VAL A 27 -9.426 0.986 -8.632 1.00 0.00 N ATOM 373 CA VAL A 27 -10.159 1.981 -9.399 1.00 0.00 C ATOM 374 C VAL A 27 -10.724 3.020 -8.447 1.00 0.00 C ATOM 375 O VAL A 27 -11.329 2.677 -7.431 1.00 0.00 O ATOM 376 CB VAL A 27 -11.304 1.321 -10.173 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.940 2.339 -11.123 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.765 0.139 -10.982 1.00 0.00 C ATOM 0 H VAL A 27 -9.990 0.470 -7.956 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.483 2.454 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.055 0.966 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.754 1.865 -11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.330 3.179 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.189 2.699 -11.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.582 -0.329 -11.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.011 0.493 -11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.318 -0.590 -10.307 1.00 0.00 H new ATOM 388 N SER A 28 -10.524 4.286 -8.765 1.00 0.00 N ATOM 389 CA SER A 28 -11.024 5.341 -7.902 1.00 0.00 C ATOM 390 C SER A 28 -12.506 5.121 -7.630 1.00 0.00 C ATOM 391 O SER A 28 -13.007 5.451 -6.555 1.00 0.00 O ATOM 392 CB SER A 28 -10.797 6.706 -8.546 1.00 0.00 C ATOM 393 OG SER A 28 -9.424 6.837 -8.894 1.00 0.00 O ATOM 0 H SER A 28 -10.029 4.605 -9.598 1.00 0.00 H new ATOM 0 HA SER A 28 -10.482 5.315 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.421 6.811 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.087 7.499 -7.857 1.00 0.00 H new ATOM 0 HG SER A 28 -9.274 7.712 -9.309 1.00 0.00 H new ATOM 399 N ALA A 29 -13.191 4.537 -8.605 1.00 0.00 N ATOM 400 CA ALA A 29 -14.613 4.237 -8.469 1.00 0.00 C ATOM 401 C ALA A 29 -15.428 5.476 -8.112 1.00 0.00 C ATOM 402 O ALA A 29 -16.657 5.431 -8.111 1.00 0.00 O ATOM 403 CB ALA A 29 -14.809 3.180 -7.382 1.00 0.00 C ATOM 0 H ALA A 29 -12.786 4.261 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.965 3.868 -9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.871 2.956 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.271 2.272 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.425 3.557 -6.434 1.00 0.00 H new ATOM 409 N SER A 30 -14.755 6.576 -7.798 1.00 0.00 N ATOM 410 CA SER A 30 -15.464 7.796 -7.432 1.00 0.00 C ATOM 411 C SER A 30 -14.584 9.023 -7.629 1.00 0.00 C ATOM 412 O SER A 30 -13.469 9.084 -7.119 1.00 0.00 O ATOM 413 CB SER A 30 -15.900 7.715 -5.969 1.00 0.00 C ATOM 414 OG SER A 30 -17.274 7.356 -5.906 1.00 0.00 O ATOM 0 H SER A 30 -13.738 6.650 -7.789 1.00 0.00 H new ATOM 0 HA SER A 30 -16.337 7.890 -8.078 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.296 6.980 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.740 8.674 -5.477 1.00 0.00 H new ATOM 0 HG SER A 30 -17.465 6.674 -6.583 1.00 0.00 H new ATOM 420 N ASP A 31 -15.096 10.005 -8.362 1.00 0.00 N ATOM 421 CA ASP A 31 -14.344 11.228 -8.601 1.00 0.00 C ATOM 422 C ASP A 31 -14.586 12.222 -7.471 1.00 0.00 C ATOM 423 O ASP A 31 -14.106 13.355 -7.512 1.00 0.00 O ATOM 424 CB ASP A 31 -14.753 11.853 -9.935 1.00 0.00 C ATOM 425 CG ASP A 31 -13.954 13.132 -10.175 1.00 0.00 C ATOM 426 OD1 ASP A 31 -12.778 13.026 -10.478 1.00 0.00 O ATOM 427 OD2 ASP A 31 -14.532 14.199 -10.046 1.00 0.00 O ATOM 0 H ASP A 31 -16.019 9.978 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.283 10.980 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.578 11.147 -10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.820 12.076 -9.931 1.00 0.00 H new ATOM 432 N THR A 32 -15.328 11.785 -6.457 1.00 0.00 N ATOM 433 CA THR A 32 -15.620 12.639 -5.313 1.00 0.00 C ATOM 434 C THR A 32 -14.621 12.363 -4.199 1.00 0.00 C ATOM 435 O THR A 32 -14.698 12.945 -3.117 1.00 0.00 O ATOM 436 CB THR A 32 -17.043 12.378 -4.803 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.654 11.379 -5.608 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.866 13.666 -4.879 1.00 0.00 C ATOM 0 H THR A 32 -15.735 10.851 -6.405 1.00 0.00 H new ATOM 0 HA THR A 32 -15.541 13.681 -5.624 1.00 0.00 H new ATOM 0 HB THR A 32 -16.999 12.041 -3.767 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.354 10.493 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.876 13.475 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.398 14.434 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.911 14.008 -5.913 1.00 0.00 H new ATOM 446 N VAL A 33 -13.684 11.463 -4.474 1.00 0.00 N ATOM 447 CA VAL A 33 -12.674 11.108 -3.488 1.00 0.00 C ATOM 448 C VAL A 33 -11.629 12.210 -3.371 1.00 0.00 C ATOM 449 O VAL A 33 -11.166 12.751 -4.374 1.00 0.00 O ATOM 450 CB VAL A 33 -11.992 9.787 -3.870 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.548 9.822 -5.331 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.764 9.563 -2.990 1.00 0.00 C ATOM 0 H VAL A 33 -13.604 10.970 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.169 10.987 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.707 8.977 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.066 8.879 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.417 9.972 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.844 10.641 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.285 8.624 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.061 10.384 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.069 9.521 -1.944 1.00 0.00 H new ATOM 462 N SER A 34 -11.262 12.531 -2.136 1.00 0.00 N ATOM 463 CA SER A 34 -10.267 13.565 -1.886 1.00 0.00 C ATOM 464 C SER A 34 -8.898 12.923 -1.712 1.00 0.00 C ATOM 465 O SER A 34 -7.868 13.598 -1.734 1.00 0.00 O ATOM 466 CB SER A 34 -10.631 14.351 -0.628 1.00 0.00 C ATOM 467 OG SER A 34 -11.627 15.315 -0.947 1.00 0.00 O ATOM 0 H SER A 34 -11.637 12.092 -1.295 1.00 0.00 H new ATOM 0 HA SER A 34 -10.243 14.248 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.998 13.674 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.747 14.845 -0.225 1.00 0.00 H new ATOM 0 HG SER A 34 -11.749 15.923 -0.188 1.00 0.00 H new ATOM 473 N GLY A 35 -8.906 11.608 -1.537 1.00 0.00 N ATOM 474 CA GLY A 35 -7.676 10.852 -1.355 1.00 0.00 C ATOM 475 C GLY A 35 -7.997 9.385 -1.105 1.00 0.00 C ATOM 476 O GLY A 35 -9.162 8.996 -1.060 1.00 0.00 O ATOM 0 H GLY A 35 -9.754 11.042 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.046 10.949 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.112 11.257 -0.515 1.00 0.00 H new ATOM 480 N PHE A 36 -6.961 8.579 -0.930 1.00 0.00 N ATOM 481 CA PHE A 36 -7.156 7.160 -0.668 1.00 0.00 C ATOM 482 C PHE A 36 -6.411 6.740 0.578 1.00 0.00 C ATOM 483 O PHE A 36 -5.369 7.302 0.911 1.00 0.00 O ATOM 484 CB PHE A 36 -6.650 6.317 -1.837 1.00 0.00 C ATOM 485 CG PHE A 36 -7.538 6.528 -3.028 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.736 5.815 -3.145 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.163 7.440 -4.015 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.564 6.021 -4.254 1.00 0.00 C ATOM 489 CE2 PHE A 36 -7.986 7.645 -5.122 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.186 6.939 -5.243 1.00 0.00 C ATOM 0 H PHE A 36 -5.986 8.878 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.226 6.998 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.624 6.593 -2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.639 5.263 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.021 5.107 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.236 7.987 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.491 5.475 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.696 8.350 -5.887 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.823 7.101 -6.100 1.00 0.00 H new ATOM 500 N ARG A 37 -6.926 5.724 1.241 1.00 0.00 N ATOM 501 CA ARG A 37 -6.265 5.216 2.421 1.00 0.00 C ATOM 502 C ARG A 37 -6.132 3.710 2.315 1.00 0.00 C ATOM 503 O ARG A 37 -7.119 2.991 2.168 1.00 0.00 O ATOM 504 CB ARG A 37 -7.024 5.586 3.690 1.00 0.00 C ATOM 505 CG ARG A 37 -6.086 5.399 4.883 1.00 0.00 C ATOM 506 CD ARG A 37 -6.801 5.794 6.171 1.00 0.00 C ATOM 507 NE ARG A 37 -7.783 4.779 6.531 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.050 4.506 7.803 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.429 5.152 8.753 1.00 0.00 N ATOM 510 NH2 ARG A 37 -8.933 3.591 8.102 1.00 0.00 N ATOM 0 H ARG A 37 -7.788 5.241 0.986 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.276 5.671 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.371 6.618 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.908 4.958 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.760 4.361 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.191 6.007 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.076 5.912 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.293 6.758 6.042 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.273 4.271 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.739 5.866 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.634 4.943 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.417 3.087 7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.139 3.381 9.079 1.00 0.00 H new ATOM 524 N VAL A 38 -4.901 3.245 2.387 1.00 0.00 N ATOM 525 CA VAL A 38 -4.637 1.821 2.294 1.00 0.00 C ATOM 526 C VAL A 38 -4.209 1.276 3.645 1.00 0.00 C ATOM 527 O VAL A 38 -3.348 1.849 4.315 1.00 0.00 O ATOM 528 CB VAL A 38 -3.550 1.560 1.248 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.185 0.075 1.243 1.00 0.00 C ATOM 530 CG2 VAL A 38 -4.075 1.959 -0.137 1.00 0.00 C ATOM 0 H VAL A 38 -4.072 3.827 2.509 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.551 1.311 1.989 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.665 2.148 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.411 -0.107 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.815 -0.212 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.068 -0.516 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.304 1.775 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.960 1.369 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.335 3.018 -0.137 1.00 0.00 H new ATOM 540 N GLU A 39 -4.811 0.164 4.038 1.00 0.00 N ATOM 541 CA GLU A 39 -4.478 -0.455 5.309 1.00 0.00 C ATOM 542 C GLU A 39 -3.979 -1.872 5.078 1.00 0.00 C ATOM 543 O GLU A 39 -4.651 -2.675 4.432 1.00 0.00 O ATOM 544 CB GLU A 39 -5.711 -0.523 6.213 1.00 0.00 C ATOM 545 CG GLU A 39 -5.281 -0.982 7.609 1.00 0.00 C ATOM 546 CD GLU A 39 -6.483 -1.513 8.384 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.116 -2.432 7.893 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.742 -1.001 9.461 1.00 0.00 O ATOM 0 H GLU A 39 -5.527 -0.324 3.499 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.705 0.147 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.191 0.454 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.444 -1.215 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.521 -1.759 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.829 -0.150 8.150 1.00 0.00 H new ATOM 555 N TYR A 40 -2.815 -2.181 5.623 1.00 0.00 N ATOM 556 CA TYR A 40 -2.263 -3.516 5.482 1.00 0.00 C ATOM 557 C TYR A 40 -1.800 -4.034 6.836 1.00 0.00 C ATOM 558 O TYR A 40 -1.127 -3.331 7.589 1.00 0.00 O ATOM 559 CB TYR A 40 -1.111 -3.528 4.470 1.00 0.00 C ATOM 560 CG TYR A 40 -0.013 -2.597 4.917 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.047 -1.252 4.538 1.00 0.00 C ATOM 562 CD2 TYR A 40 1.045 -3.081 5.697 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.975 -0.386 4.940 1.00 0.00 C ATOM 564 CE2 TYR A 40 2.071 -2.216 6.098 1.00 0.00 C ATOM 565 CZ TYR A 40 2.035 -0.866 5.719 1.00 0.00 C ATOM 566 OH TYR A 40 3.043 -0.009 6.112 1.00 0.00 O ATOM 0 H TYR A 40 -2.240 -1.533 6.161 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.043 -4.177 5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.719 -4.540 4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.477 -3.226 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.863 -0.881 3.935 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.070 -4.120 5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.947 0.654 4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.888 -2.588 6.698 1.00 0.00 H new ATOM 0 HH TYR A 40 3.376 -0.278 6.994 1.00 0.00 H new ATOM 576 N GLU A 41 -2.188 -5.265 7.140 1.00 0.00 N ATOM 577 CA GLU A 41 -1.839 -5.891 8.410 1.00 0.00 C ATOM 578 C GLU A 41 -1.697 -7.396 8.220 1.00 0.00 C ATOM 579 O GLU A 41 -2.134 -7.933 7.207 1.00 0.00 O ATOM 580 CB GLU A 41 -2.936 -5.611 9.439 1.00 0.00 C ATOM 581 CG GLU A 41 -4.173 -6.439 9.083 1.00 0.00 C ATOM 582 CD GLU A 41 -5.341 -6.050 9.980 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.137 -5.234 10.863 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.424 -6.574 9.770 1.00 0.00 O ATOM 0 H GLU A 41 -2.747 -5.853 6.522 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.894 -5.480 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.588 -5.865 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.183 -4.549 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.438 -6.279 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.955 -7.501 9.198 1.00 0.00 H new ATOM 591 N LEU A 42 -1.094 -8.077 9.189 1.00 0.00 N ATOM 592 CA LEU A 42 -0.922 -9.524 9.079 1.00 0.00 C ATOM 593 C LEU A 42 -2.246 -10.247 9.288 1.00 0.00 C ATOM 594 O LEU A 42 -2.947 -10.018 10.274 1.00 0.00 O ATOM 595 CB LEU A 42 0.102 -10.020 10.104 1.00 0.00 C ATOM 596 CG LEU A 42 1.455 -9.358 9.835 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.460 -9.785 10.905 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.973 -9.801 8.465 1.00 0.00 C ATOM 0 H LEU A 42 -0.722 -7.662 10.044 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.559 -9.742 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.235 -9.785 11.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.197 -11.104 10.044 1.00 0.00 H new ATOM 0 HG LEU A 42 1.334 -8.275 9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.422 -9.312 10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.098 -9.480 11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.577 -10.868 10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.937 -9.331 8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.089 -10.885 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.262 -9.504 7.694 1.00 0.00 H new ATOM 610 N SER A 43 -2.576 -11.127 8.347 1.00 0.00 N ATOM 611 CA SER A 43 -3.811 -11.894 8.427 1.00 0.00 C ATOM 612 C SER A 43 -3.708 -12.927 9.545 1.00 0.00 C ATOM 613 O SER A 43 -4.716 -13.359 10.105 1.00 0.00 O ATOM 614 CB SER A 43 -4.067 -12.606 7.103 1.00 0.00 C ATOM 615 OG SER A 43 -3.277 -13.783 7.054 1.00 0.00 O ATOM 0 H SER A 43 -2.007 -11.325 7.524 1.00 0.00 H new ATOM 0 HA SER A 43 -4.636 -11.213 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.123 -12.857 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.819 -11.950 6.268 1.00 0.00 H new ATOM 0 HG SER A 43 -3.823 -14.554 7.314 1.00 0.00 H new ATOM 621 N GLU A 44 -2.474 -13.310 9.867 1.00 0.00 N ATOM 622 CA GLU A 44 -2.232 -14.284 10.924 1.00 0.00 C ATOM 623 C GLU A 44 -2.013 -13.565 12.244 1.00 0.00 C ATOM 624 O GLU A 44 -2.885 -13.557 13.114 1.00 0.00 O ATOM 625 CB GLU A 44 -0.995 -15.124 10.596 1.00 0.00 C ATOM 626 CG GLU A 44 -1.201 -15.822 9.251 1.00 0.00 C ATOM 627 CD GLU A 44 -2.412 -16.746 9.331 1.00 0.00 C ATOM 628 OE1 GLU A 44 -2.833 -17.044 10.437 1.00 0.00 O ATOM 629 OE2 GLU A 44 -2.899 -17.141 8.287 1.00 0.00 O ATOM 0 H GLU A 44 -1.631 -12.961 9.412 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.100 -14.939 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.110 -14.489 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.824 -15.862 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.348 -15.081 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.312 -16.394 8.987 1.00 0.00 H new ATOM 636 N GLU A 45 -0.845 -12.951 12.375 1.00 0.00 N ATOM 637 CA GLU A 45 -0.510 -12.214 13.574 1.00 0.00 C ATOM 638 C GLU A 45 -1.390 -10.979 13.677 1.00 0.00 C ATOM 639 O GLU A 45 -1.758 -10.385 12.664 1.00 0.00 O ATOM 640 CB GLU A 45 0.958 -11.792 13.530 1.00 0.00 C ATOM 641 CG GLU A 45 1.849 -13.030 13.411 1.00 0.00 C ATOM 642 CD GLU A 45 3.312 -12.631 13.576 1.00 0.00 C ATOM 643 OE1 GLU A 45 3.592 -11.445 13.520 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.133 -13.518 13.755 1.00 0.00 O ATOM 0 H GLU A 45 -0.116 -12.952 11.661 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.675 -12.851 14.443 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.129 -11.126 12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.213 -11.234 14.431 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.574 -13.762 14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.699 -13.505 12.442 1.00 0.00 H new ATOM 651 N GLY A 46 -1.735 -10.595 14.895 1.00 0.00 N ATOM 652 CA GLY A 46 -2.580 -9.431 15.083 1.00 0.00 C ATOM 653 C GLY A 46 -1.753 -8.178 15.350 1.00 0.00 C ATOM 654 O GLY A 46 -2.146 -7.328 16.149 1.00 0.00 O ATOM 0 H GLY A 46 -1.448 -11.064 15.754 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.196 -9.280 14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.260 -9.604 15.917 1.00 0.00 H new ATOM 658 N ASP A 47 -0.615 -8.055 14.670 1.00 0.00 N ATOM 659 CA ASP A 47 0.228 -6.884 14.847 1.00 0.00 C ATOM 660 C ASP A 47 -0.601 -5.633 14.619 1.00 0.00 C ATOM 661 O ASP A 47 -1.745 -5.717 14.173 1.00 0.00 O ATOM 662 CB ASP A 47 1.397 -6.911 13.863 1.00 0.00 C ATOM 663 CG ASP A 47 2.344 -8.056 14.204 1.00 0.00 C ATOM 664 OD1 ASP A 47 1.994 -8.854 15.057 1.00 0.00 O ATOM 665 OD2 ASP A 47 3.401 -8.125 13.601 1.00 0.00 O ATOM 0 H ASP A 47 -0.263 -8.742 14.003 1.00 0.00 H new ATOM 0 HA ASP A 47 0.628 -6.885 15.861 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.023 -7.029 12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.933 -5.963 13.898 1.00 0.00 H new ATOM 670 N GLU A 48 -0.040 -4.475 14.931 1.00 0.00 N ATOM 671 CA GLU A 48 -0.777 -3.239 14.746 1.00 0.00 C ATOM 672 C GLU A 48 -0.892 -2.905 13.260 1.00 0.00 C ATOM 673 O GLU A 48 0.092 -2.967 12.524 1.00 0.00 O ATOM 674 CB GLU A 48 -0.094 -2.086 15.475 1.00 0.00 C ATOM 675 CG GLU A 48 1.422 -2.263 15.418 1.00 0.00 C ATOM 676 CD GLU A 48 1.938 -2.778 16.758 1.00 0.00 C ATOM 677 OE1 GLU A 48 1.130 -3.258 17.535 1.00 0.00 O ATOM 678 OE2 GLU A 48 3.132 -2.684 16.987 1.00 0.00 O ATOM 0 H GLU A 48 0.903 -4.367 15.305 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.775 -3.378 15.162 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.376 -1.137 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.427 -2.052 16.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.685 -2.962 14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.898 -1.313 15.176 1.00 0.00 H new ATOM 685 N PRO A 49 -2.071 -2.557 12.813 1.00 0.00 N ATOM 686 CA PRO A 49 -2.318 -2.208 11.383 1.00 0.00 C ATOM 687 C PRO A 49 -1.662 -0.886 10.991 1.00 0.00 C ATOM 688 O PRO A 49 -1.506 0.010 11.818 1.00 0.00 O ATOM 689 CB PRO A 49 -3.841 -2.105 11.283 1.00 0.00 C ATOM 690 CG PRO A 49 -4.322 -1.844 12.674 1.00 0.00 C ATOM 691 CD PRO A 49 -3.293 -2.459 13.622 1.00 0.00 C ATOM 0 HA PRO A 49 -1.893 -2.950 10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.135 -1.300 10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.270 -3.025 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.421 -0.774 12.854 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.306 -2.286 12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.139 -1.834 14.502 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.614 -3.438 13.978 1.00 0.00 H new ATOM 699 N GLN A 50 -1.286 -0.776 9.721 1.00 0.00 N ATOM 700 CA GLN A 50 -0.652 0.440 9.221 1.00 0.00 C ATOM 701 C GLN A 50 -1.531 1.091 8.157 1.00 0.00 C ATOM 702 O GLN A 50 -2.243 0.403 7.427 1.00 0.00 O ATOM 703 CB GLN A 50 0.712 0.097 8.627 1.00 0.00 C ATOM 704 CG GLN A 50 1.580 -0.552 9.706 1.00 0.00 C ATOM 705 CD GLN A 50 2.474 -1.616 9.082 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.588 -1.322 8.647 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.046 -2.846 9.014 1.00 0.00 N ATOM 0 H GLN A 50 -1.408 -1.509 9.022 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.522 1.140 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.594 -0.581 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.194 0.998 8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.190 0.205 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.948 -1.000 10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.123 -3.085 9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.635 -3.569 8.599 1.00 0.00 H new ATOM 716 N TYR A 51 -1.488 2.419 8.083 1.00 0.00 N ATOM 717 CA TYR A 51 -2.305 3.138 7.112 1.00 0.00 C ATOM 718 C TYR A 51 -1.462 4.066 6.236 1.00 0.00 C ATOM 719 O TYR A 51 -0.537 4.719 6.717 1.00 0.00 O ATOM 720 CB TYR A 51 -3.346 3.985 7.843 1.00 0.00 C ATOM 721 CG TYR A 51 -4.119 3.139 8.822 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.257 2.446 8.398 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.714 3.070 10.162 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.990 1.680 9.310 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.450 2.307 11.076 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.588 1.613 10.650 1.00 0.00 C ATOM 727 OH TYR A 51 -6.316 0.860 11.548 1.00 0.00 O ATOM 0 H TYR A 51 -0.905 3.011 8.675 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.784 2.394 6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.854 4.803 8.369 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.029 4.435 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.570 2.502 7.366 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.835 3.605 10.489 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.866 1.140 8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.140 2.254 12.109 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.649 0.053 11.104 1.00 0.00 H new ATOM 737 N LEU A 52 -1.816 4.142 4.954 1.00 0.00 N ATOM 738 CA LEU A 52 -1.119 5.023 4.020 1.00 0.00 C ATOM 739 C LEU A 52 -2.130 5.898 3.294 1.00 0.00 C ATOM 740 O LEU A 52 -3.161 5.411 2.836 1.00 0.00 O ATOM 741 CB LEU A 52 -0.335 4.206 2.999 1.00 0.00 C ATOM 742 CG LEU A 52 0.614 3.262 3.727 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.331 2.386 2.703 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.645 4.076 4.516 1.00 0.00 C ATOM 0 H LEU A 52 -2.579 3.606 4.540 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.424 5.647 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.019 3.637 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.227 4.869 2.341 1.00 0.00 H new ATOM 0 HG LEU A 52 0.049 2.635 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.012 1.708 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.597 1.807 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.897 3.017 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.323 3.399 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.214 4.704 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.132 4.705 5.243 1.00 0.00 H new ATOM 756 N ASP A 53 -1.836 7.187 3.190 1.00 0.00 N ATOM 757 CA ASP A 53 -2.747 8.108 2.514 1.00 0.00 C ATOM 758 C ASP A 53 -2.196 8.529 1.153 1.00 0.00 C ATOM 759 O ASP A 53 -1.018 8.861 1.023 1.00 0.00 O ATOM 760 CB ASP A 53 -2.981 9.342 3.382 1.00 0.00 C ATOM 761 CG ASP A 53 -3.406 8.916 4.783 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.236 8.029 4.885 1.00 0.00 O ATOM 763 OD2 ASP A 53 -2.891 9.482 5.734 1.00 0.00 O ATOM 0 H ASP A 53 -0.987 7.617 3.558 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.693 7.591 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.071 9.939 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.750 9.972 2.935 1.00 0.00 H new ATOM 768 N LEU A 54 -3.060 8.498 0.140 1.00 0.00 N ATOM 769 CA LEU A 54 -2.663 8.864 -1.220 1.00 0.00 C ATOM 770 C LEU A 54 -3.659 9.865 -1.805 1.00 0.00 C ATOM 771 O LEU A 54 -4.814 9.916 -1.384 1.00 0.00 O ATOM 772 CB LEU A 54 -2.641 7.611 -2.103 1.00 0.00 C ATOM 773 CG LEU A 54 -2.080 6.423 -1.320 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.509 5.128 -2.005 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.553 6.512 -1.297 1.00 0.00 C ATOM 0 H LEU A 54 -4.038 8.224 0.234 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.671 9.314 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.649 7.384 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.032 7.792 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.459 6.437 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.113 4.276 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.597 5.072 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.123 5.111 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.148 5.667 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.172 6.490 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.250 7.442 -0.817 1.00 0.00 H new ATOM 787 N PRO A 55 -3.243 10.651 -2.766 1.00 0.00 N ATOM 788 CA PRO A 55 -4.140 11.652 -3.410 1.00 0.00 C ATOM 789 C PRO A 55 -5.275 10.994 -4.200 1.00 0.00 C ATOM 790 O PRO A 55 -5.148 9.858 -4.658 1.00 0.00 O ATOM 791 CB PRO A 55 -3.225 12.465 -4.333 1.00 0.00 C ATOM 792 CG PRO A 55 -1.926 11.727 -4.434 1.00 0.00 C ATOM 793 CD PRO A 55 -1.886 10.666 -3.333 1.00 0.00 C ATOM 0 HA PRO A 55 -4.637 12.273 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.678 12.582 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.068 13.467 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.831 11.260 -5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.089 12.417 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.616 9.690 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.144 10.914 -2.574 1.00 0.00 H new ATOM 801 N SER A 56 -6.382 11.719 -4.350 1.00 0.00 N ATOM 802 CA SER A 56 -7.541 11.205 -5.084 1.00 0.00 C ATOM 803 C SER A 56 -7.157 10.814 -6.507 1.00 0.00 C ATOM 804 O SER A 56 -7.902 10.106 -7.186 1.00 0.00 O ATOM 805 CB SER A 56 -8.647 12.256 -5.138 1.00 0.00 C ATOM 806 OG SER A 56 -8.134 13.446 -5.721 1.00 0.00 O ATOM 0 H SER A 56 -6.503 12.660 -3.976 1.00 0.00 H new ATOM 0 HA SER A 56 -7.900 10.322 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.489 11.885 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.020 12.460 -4.134 1.00 0.00 H new ATOM 0 HG SER A 56 -8.872 14.064 -5.906 1.00 0.00 H new ATOM 812 N THR A 57 -5.996 11.276 -6.962 1.00 0.00 N ATOM 813 CA THR A 57 -5.549 10.955 -8.313 1.00 0.00 C ATOM 814 C THR A 57 -4.706 9.686 -8.307 1.00 0.00 C ATOM 815 O THR A 57 -4.363 9.154 -9.362 1.00 0.00 O ATOM 816 CB THR A 57 -4.730 12.113 -8.892 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.532 12.271 -8.144 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.550 13.401 -8.830 1.00 0.00 C ATOM 0 H THR A 57 -5.358 11.864 -6.426 1.00 0.00 H new ATOM 0 HA THR A 57 -6.429 10.794 -8.935 1.00 0.00 H new ATOM 0 HB THR A 57 -4.479 11.895 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.009 13.011 -8.517 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.966 14.224 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.465 13.278 -9.410 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.805 13.620 -7.793 1.00 0.00 H new ATOM 826 N ALA A 58 -4.390 9.203 -7.110 1.00 0.00 N ATOM 827 CA ALA A 58 -3.599 7.989 -6.975 1.00 0.00 C ATOM 828 C ALA A 58 -4.497 6.769 -7.115 1.00 0.00 C ATOM 829 O ALA A 58 -5.565 6.698 -6.508 1.00 0.00 O ATOM 830 CB ALA A 58 -2.898 7.965 -5.616 1.00 0.00 C ATOM 0 H ALA A 58 -4.668 9.631 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.844 7.970 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.309 7.052 -5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.241 8.830 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.644 7.995 -4.821 1.00 0.00 H new ATOM 836 N THR A 59 -4.061 5.812 -7.917 1.00 0.00 N ATOM 837 CA THR A 59 -4.836 4.603 -8.127 1.00 0.00 C ATOM 838 C THR A 59 -3.964 3.368 -7.941 1.00 0.00 C ATOM 839 O THR A 59 -4.317 2.278 -8.391 1.00 0.00 O ATOM 840 CB THR A 59 -5.426 4.607 -9.535 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.375 4.717 -10.484 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.377 5.797 -9.688 1.00 0.00 C ATOM 0 H THR A 59 -3.180 5.849 -8.430 1.00 0.00 H new ATOM 0 HA THR A 59 -5.642 4.575 -7.393 1.00 0.00 H new ATOM 0 HB THR A 59 -5.975 3.681 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.750 4.718 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.798 5.799 -10.693 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.182 5.716 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.829 6.724 -9.522 1.00 0.00 H new ATOM 850 N SER A 60 -2.822 3.543 -7.285 1.00 0.00 N ATOM 851 CA SER A 60 -1.910 2.433 -7.055 1.00 0.00 C ATOM 852 C SER A 60 -0.886 2.803 -5.986 1.00 0.00 C ATOM 853 O SER A 60 -0.462 3.956 -5.898 1.00 0.00 O ATOM 854 CB SER A 60 -1.209 2.079 -8.367 1.00 0.00 C ATOM 855 OG SER A 60 -0.328 3.134 -8.731 1.00 0.00 O ATOM 0 H SER A 60 -2.509 4.437 -6.906 1.00 0.00 H new ATOM 0 HA SER A 60 -2.472 1.568 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.653 1.148 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.946 1.918 -9.154 1.00 0.00 H new ATOM 0 HG SER A 60 0.124 2.908 -9.571 1.00 0.00 H new ATOM 861 N VAL A 61 -0.500 1.833 -5.164 1.00 0.00 N ATOM 862 CA VAL A 61 0.464 2.102 -4.099 1.00 0.00 C ATOM 863 C VAL A 61 1.315 0.879 -3.791 1.00 0.00 C ATOM 864 O VAL A 61 0.851 -0.259 -3.873 1.00 0.00 O ATOM 865 CB VAL A 61 -0.269 2.530 -2.830 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.993 1.324 -2.226 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.738 3.083 -1.815 1.00 0.00 C ATOM 0 H VAL A 61 -0.832 0.870 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 61 1.120 2.902 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.996 3.304 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.516 1.630 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.712 0.933 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.267 0.549 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.212 3.388 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.467 2.311 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.251 3.944 -2.244 1.00 0.00 H new ATOM 877 N ASN A 62 2.563 1.130 -3.412 1.00 0.00 N ATOM 878 CA ASN A 62 3.484 0.055 -3.063 1.00 0.00 C ATOM 879 C ASN A 62 3.613 -0.031 -1.538 1.00 0.00 C ATOM 880 O ASN A 62 3.940 0.959 -0.884 1.00 0.00 O ATOM 881 CB ASN A 62 4.853 0.318 -3.693 1.00 0.00 C ATOM 882 CG ASN A 62 5.848 -0.746 -3.249 1.00 0.00 C ATOM 883 OD1 ASN A 62 7.050 -0.490 -3.195 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.416 -1.933 -2.923 1.00 0.00 N ATOM 0 H ASN A 62 2.960 2.067 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 62 3.099 -0.891 -3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.768 0.316 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.212 1.306 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.075 -2.651 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.419 -2.143 -2.968 1.00 0.00 H new ATOM 891 N ILE A 63 3.343 -1.209 -0.973 1.00 0.00 N ATOM 892 CA ILE A 63 3.423 -1.383 0.481 1.00 0.00 C ATOM 893 C ILE A 63 4.783 -1.949 0.900 1.00 0.00 C ATOM 894 O ILE A 63 5.074 -3.115 0.641 1.00 0.00 O ATOM 895 CB ILE A 63 2.332 -2.343 0.958 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.035 -2.086 0.189 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.080 -2.117 2.448 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.139 -2.701 0.957 1.00 0.00 C ATOM 0 H ILE A 63 3.071 -2.046 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 63 3.289 -0.401 0.935 1.00 0.00 H new ATOM 0 HB ILE A 63 2.658 -3.369 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.880 -1.015 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.099 -2.519 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.303 -2.799 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.999 -2.302 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.758 -1.088 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.065 -2.520 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.017 -3.775 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.205 -2.247 1.946 1.00 0.00 H new ATOM 910 N PRO A 64 5.612 -1.164 1.546 1.00 0.00 N ATOM 911 CA PRO A 64 6.952 -1.611 2.008 1.00 0.00 C ATOM 912 C PRO A 64 6.929 -2.184 3.430 1.00 0.00 C ATOM 913 O PRO A 64 5.889 -2.216 4.087 1.00 0.00 O ATOM 914 CB PRO A 64 7.758 -0.316 1.967 1.00 0.00 C ATOM 915 CG PRO A 64 6.775 0.761 2.303 1.00 0.00 C ATOM 916 CD PRO A 64 5.384 0.245 1.911 1.00 0.00 C ATOM 0 HA PRO A 64 7.356 -2.417 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.579 -0.339 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.198 -0.156 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.812 0.997 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.011 1.679 1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.679 0.333 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.970 0.811 1.077 1.00 0.00 H new ATOM 924 N ASP A 65 8.097 -2.621 3.887 1.00 0.00 N ATOM 925 CA ASP A 65 8.251 -3.183 5.228 1.00 0.00 C ATOM 926 C ASP A 65 7.346 -4.392 5.451 1.00 0.00 C ATOM 927 O ASP A 65 6.819 -4.584 6.548 1.00 0.00 O ATOM 928 CB ASP A 65 7.933 -2.117 6.278 1.00 0.00 C ATOM 929 CG ASP A 65 8.976 -1.007 6.230 1.00 0.00 C ATOM 930 OD1 ASP A 65 9.993 -1.205 5.586 1.00 0.00 O ATOM 931 OD2 ASP A 65 8.745 0.022 6.842 1.00 0.00 O ATOM 0 H ASP A 65 8.960 -2.597 3.344 1.00 0.00 H new ATOM 0 HA ASP A 65 9.285 -3.513 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.941 -1.703 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.915 -2.567 7.271 1.00 0.00 H new ATOM 936 N LEU A 66 7.186 -5.218 4.425 1.00 0.00 N ATOM 937 CA LEU A 66 6.363 -6.418 4.548 1.00 0.00 C ATOM 938 C LEU A 66 7.221 -7.604 4.987 1.00 0.00 C ATOM 939 O LEU A 66 8.384 -7.715 4.599 1.00 0.00 O ATOM 940 CB LEU A 66 5.664 -6.725 3.220 1.00 0.00 C ATOM 941 CG LEU A 66 4.710 -5.581 2.874 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.952 -5.911 1.586 1.00 0.00 C ATOM 943 CD2 LEU A 66 3.709 -5.399 4.017 1.00 0.00 C ATOM 0 H LEU A 66 7.609 -5.083 3.507 1.00 0.00 H new ATOM 0 HA LEU A 66 5.600 -6.241 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.402 -6.850 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.114 -7.663 3.294 1.00 0.00 H new ATOM 0 HG LEU A 66 5.281 -4.664 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.273 -5.093 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.662 -6.047 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.380 -6.828 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.026 -4.584 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.142 -6.320 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.245 -5.163 4.936 1.00 0.00 H new ATOM 955 N LEU A 67 6.651 -8.478 5.814 1.00 0.00 N ATOM 956 CA LEU A 67 7.383 -9.636 6.314 1.00 0.00 C ATOM 957 C LEU A 67 7.220 -10.851 5.396 1.00 0.00 C ATOM 958 O LEU A 67 6.129 -11.412 5.295 1.00 0.00 O ATOM 959 CB LEU A 67 6.879 -9.994 7.711 1.00 0.00 C ATOM 960 CG LEU A 67 7.547 -9.081 8.737 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.728 -9.076 10.027 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.959 -9.595 9.028 1.00 0.00 C ATOM 0 H LEU A 67 5.690 -8.406 6.149 1.00 0.00 H new ATOM 0 HA LEU A 67 8.440 -9.373 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.796 -9.883 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.103 -11.037 7.935 1.00 0.00 H new ATOM 0 HG LEU A 67 7.602 -8.067 8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.205 -8.424 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.722 -8.711 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.671 -10.089 10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.439 -8.946 9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.903 -10.609 9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.542 -9.597 8.107 1.00 0.00 H new ATOM 974 N PRO A 68 8.278 -11.275 4.746 1.00 0.00 N ATOM 975 CA PRO A 68 8.235 -12.461 3.843 1.00 0.00 C ATOM 976 C PRO A 68 7.732 -13.708 4.566 1.00 0.00 C ATOM 977 O PRO A 68 8.052 -13.933 5.732 1.00 0.00 O ATOM 978 CB PRO A 68 9.686 -12.666 3.399 1.00 0.00 C ATOM 979 CG PRO A 68 10.411 -11.399 3.712 1.00 0.00 C ATOM 980 CD PRO A 68 9.619 -10.672 4.799 1.00 0.00 C ATOM 0 HA PRO A 68 7.552 -12.297 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.136 -13.509 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.737 -12.889 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.424 -11.611 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.499 -10.777 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.076 -10.806 5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.579 -9.599 4.610 1.00 0.00 H new ATOM 988 N GLY A 69 6.950 -14.519 3.864 1.00 0.00 N ATOM 989 CA GLY A 69 6.419 -15.742 4.450 1.00 0.00 C ATOM 990 C GLY A 69 5.247 -15.434 5.373 1.00 0.00 C ATOM 991 O GLY A 69 4.824 -16.282 6.158 1.00 0.00 O ATOM 0 H GLY A 69 6.672 -14.354 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.097 -16.420 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.203 -16.253 5.008 1.00 0.00 H new ATOM 995 N ARG A 70 4.719 -14.216 5.265 1.00 0.00 N ATOM 996 CA ARG A 70 3.586 -13.806 6.089 1.00 0.00 C ATOM 997 C ARG A 70 2.421 -13.387 5.202 1.00 0.00 C ATOM 998 O ARG A 70 2.622 -12.904 4.087 1.00 0.00 O ATOM 999 CB ARG A 70 3.968 -12.627 6.987 1.00 0.00 C ATOM 1000 CG ARG A 70 5.184 -12.970 7.852 1.00 0.00 C ATOM 1001 CD ARG A 70 4.934 -14.258 8.634 1.00 0.00 C ATOM 1002 NE ARG A 70 5.813 -14.303 9.796 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.555 -13.563 10.869 1.00 0.00 C ATOM 1004 NH1 ARG A 70 4.480 -12.826 10.895 1.00 0.00 N ATOM 1005 NH2 ARG A 70 6.367 -13.576 11.892 1.00 0.00 N ATOM 0 H ARG A 70 5.055 -13.501 4.620 1.00 0.00 H new ATOM 0 HA ARG A 70 3.297 -14.654 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.188 -11.754 6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.125 -12.363 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.066 -13.085 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.390 -12.152 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.892 -14.306 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.113 -15.123 7.996 1.00 0.00 H new ATOM 0 HE ARG A 70 6.634 -14.908 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.846 -12.821 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.273 -12.254 11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.205 -14.157 11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.163 -13.005 12.712 1.00 0.00 H new ATOM 1019 N LYS A 71 1.204 -13.561 5.703 1.00 0.00 N ATOM 1020 CA LYS A 71 0.025 -13.182 4.944 1.00 0.00 C ATOM 1021 C LYS A 71 -0.507 -11.841 5.437 1.00 0.00 C ATOM 1022 O LYS A 71 -0.684 -11.633 6.636 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.053 -14.256 5.077 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.223 -13.917 4.155 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.310 -14.983 4.289 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.357 -14.775 3.198 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.115 -16.039 2.995 1.00 0.00 N ATOM 0 H LYS A 71 1.011 -13.958 6.622 1.00 0.00 H new ATOM 0 HA LYS A 71 0.299 -13.087 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.643 -15.232 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.395 -14.317 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.627 -12.937 4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.880 -13.861 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.872 -15.978 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.776 -14.922 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.037 -13.971 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.875 -14.474 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.829 -15.900 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.460 -16.794 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.586 -16.307 3.882 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.762 -10.936 4.501 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.276 -9.611 4.846 1.00 0.00 C ATOM 1043 C TYR A 72 -2.666 -9.388 4.258 1.00 0.00 C ATOM 1044 O TYR A 72 -3.009 -9.940 3.213 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.371 -8.513 4.278 1.00 0.00 C ATOM 1046 CG TYR A 72 0.957 -8.446 4.999 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.963 -9.376 4.713 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.193 -7.424 5.930 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.201 -9.288 5.362 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.433 -7.332 6.573 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.438 -8.265 6.290 1.00 0.00 C ATOM 1052 OH TYR A 72 4.662 -8.176 6.922 1.00 0.00 O ATOM 0 H TYR A 72 -0.623 -11.091 3.502 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.310 -9.564 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.199 -8.697 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.876 -7.550 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.785 -10.161 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.417 -6.707 6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.975 -10.010 5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.614 -6.542 7.287 1.00 0.00 H new ATOM 0 HH TYR A 72 4.660 -7.410 7.533 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.436 -8.526 4.911 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.760 -8.167 4.427 1.00 0.00 C ATOM 1064 C ILE A 73 -4.689 -6.743 3.913 1.00 0.00 C ATOM 1065 O ILE A 73 -4.309 -5.835 4.647 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.792 -8.258 5.551 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.819 -9.681 6.099 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.176 -7.896 5.008 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.698 -9.727 7.348 1.00 0.00 C ATOM 0 H ILE A 73 -3.164 -8.063 5.778 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.065 -8.853 3.637 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.523 -7.564 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.205 -10.366 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.808 -10.009 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.910 -7.961 5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.158 -6.880 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.447 -8.589 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.719 -10.743 7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.292 -9.054 8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.711 -9.417 7.092 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.042 -6.545 2.657 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.989 -5.212 2.080 1.00 0.00 C ATOM 1083 C VAL A 74 -6.388 -4.710 1.759 1.00 0.00 C ATOM 1084 O VAL A 74 -7.190 -5.409 1.140 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.138 -5.219 0.807 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.062 -3.798 0.246 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.721 -5.710 1.133 1.00 0.00 C ATOM 0 H VAL A 74 -5.364 -7.277 2.024 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.535 -4.542 2.811 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.591 -5.885 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.457 -3.797 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.066 -3.445 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.608 -3.139 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.119 -5.713 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.266 -5.046 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.770 -6.720 1.539 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.665 -3.487 2.182 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.959 -2.878 1.936 1.00 0.00 C ATOM 1099 C ASN A 75 -7.769 -1.427 1.519 1.00 0.00 C ATOM 1100 O ASN A 75 -7.102 -0.657 2.209 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.817 -2.958 3.198 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.174 -4.408 3.487 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -10.194 -4.909 3.011 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.385 -5.117 4.243 1.00 0.00 N ATOM 0 H ASN A 75 -6.010 -2.898 2.697 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.465 -3.414 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.277 -2.531 4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.725 -2.369 3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.610 -6.091 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.542 -4.698 4.635 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.350 -1.062 0.384 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.225 0.304 -0.109 1.00 0.00 C ATOM 1113 C VAL A 76 -9.506 1.083 0.149 1.00 0.00 C ATOM 1114 O VAL A 76 -10.604 0.621 -0.165 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.928 0.302 -1.609 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.548 1.715 -2.056 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.768 -0.653 -1.893 1.00 0.00 C ATOM 0 H VAL A 76 -8.905 -1.682 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.402 0.782 0.422 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.812 -0.025 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.336 1.714 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.374 2.396 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.663 2.043 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.553 -0.657 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.884 -0.324 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.039 -1.659 -1.573 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.355 2.270 0.718 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.496 3.119 1.012 1.00 0.00 C ATOM 1129 C TYR A 77 -10.368 4.441 0.280 1.00 0.00 C ATOM 1130 O TYR A 77 -9.280 5.000 0.177 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.560 3.425 2.506 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.717 2.159 3.306 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -9.601 1.362 3.583 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -11.978 1.791 3.787 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -9.745 0.194 4.341 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -12.126 0.623 4.543 1.00 0.00 C ATOM 1137 CZ TYR A 77 -11.010 -0.177 4.820 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.155 -1.329 5.566 1.00 0.00 O ATOM 0 H TYR A 77 -8.453 2.665 0.985 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.394 2.590 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.653 3.945 2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.396 4.095 2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.628 1.648 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.838 2.409 3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.883 -0.420 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -13.100 0.338 4.913 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.095 -1.438 5.820 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.486 4.958 -0.186 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.473 6.247 -0.857 1.00 0.00 C ATOM 1150 C GLN A 78 -12.091 7.274 0.081 1.00 0.00 C ATOM 1151 O GLN A 78 -13.133 7.023 0.683 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.265 6.185 -2.162 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.744 6.469 -1.884 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.594 6.016 -3.064 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -14.010 5.606 -4.156 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.822 6.036 -2.990 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.403 4.516 -0.116 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.448 6.525 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.872 6.913 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.154 5.202 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.058 5.950 -0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.891 7.535 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.276 6.357 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.386 5.732 -3.784 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.440 8.419 0.227 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.941 9.447 1.125 1.00 0.00 C ATOM 1167 C ILE A 79 -12.751 10.472 0.362 1.00 0.00 C ATOM 1168 O ILE A 79 -12.257 11.098 -0.573 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.774 10.149 1.813 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.902 9.109 2.508 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.314 11.141 2.845 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.655 9.788 3.077 1.00 0.00 C ATOM 0 H ILE A 79 -10.575 8.657 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.578 8.969 1.869 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.180 10.686 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.462 8.625 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.615 8.329 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.481 11.643 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.940 11.881 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.906 10.607 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.031 9.045 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.092 10.252 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.952 10.552 3.796 1.00 0.00 H new ATOM 1184 N SER A 80 -13.995 10.646 0.775 1.00 0.00 N ATOM 1185 CA SER A 80 -14.865 11.601 0.125 1.00 0.00 C ATOM 1186 C SER A 80 -14.580 13.004 0.645 1.00 0.00 C ATOM 1187 O SER A 80 -13.864 13.181 1.631 1.00 0.00 O ATOM 1188 CB SER A 80 -16.324 11.234 0.377 1.00 0.00 C ATOM 1189 OG SER A 80 -16.709 11.686 1.667 1.00 0.00 O ATOM 0 H SER A 80 -14.420 10.140 1.552 1.00 0.00 H new ATOM 0 HA SER A 80 -14.677 11.578 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.961 11.686 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.457 10.155 0.303 1.00 0.00 H new ATOM 0 HG SER A 80 -17.588 11.316 1.894 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.129 13.996 -0.035 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.917 15.383 0.347 1.00 0.00 C ATOM 1197 C GLU A 81 -15.391 15.646 1.776 1.00 0.00 C ATOM 1198 O GLU A 81 -15.012 16.648 2.384 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.662 16.299 -0.622 1.00 0.00 C ATOM 1200 CG GLU A 81 -15.092 16.122 -2.028 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.766 17.097 -2.984 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.900 17.462 -2.721 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -15.144 17.458 -3.970 1.00 0.00 O ATOM 0 H GLU A 81 -15.724 13.868 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.848 15.589 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.726 16.063 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.564 17.338 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.016 16.293 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.249 15.098 -2.368 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.222 14.755 2.308 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.733 14.932 3.666 1.00 0.00 C ATOM 1212 C ASP A 82 -15.866 14.201 4.693 1.00 0.00 C ATOM 1213 O ASP A 82 -16.141 14.254 5.891 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.168 14.418 3.756 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.188 12.906 3.587 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.140 12.301 3.738 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.251 12.373 3.313 1.00 0.00 O ATOM 0 H ASP A 82 -16.552 13.916 1.831 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.706 15.998 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.602 14.691 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.780 14.887 2.986 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.813 13.535 4.227 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.914 12.820 5.133 1.00 0.00 C ATOM 1224 C GLY A 83 -14.372 11.385 5.395 1.00 0.00 C ATOM 1225 O GLY A 83 -13.828 10.707 6.268 1.00 0.00 O ATOM 0 H GLY A 83 -14.562 13.474 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.910 12.806 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.853 13.358 6.079 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.352 10.914 4.631 1.00 0.00 N ATOM 1230 CA GLU A 84 -15.838 9.545 4.795 1.00 0.00 C ATOM 1231 C GLU A 84 -15.028 8.579 3.933 1.00 0.00 C ATOM 1232 O GLU A 84 -14.621 8.919 2.823 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.318 9.453 4.413 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.164 10.198 5.448 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.035 9.518 6.805 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -17.550 8.398 6.839 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.421 10.125 7.790 1.00 0.00 O ATOM 0 H GLU A 84 -15.821 11.450 3.901 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.721 9.269 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.476 9.882 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.626 8.409 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.838 11.236 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.208 10.212 5.136 1.00 0.00 H new ATOM 1244 N GLN A 85 -14.815 7.370 4.444 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.070 6.357 3.704 1.00 0.00 C ATOM 1246 C GLN A 85 -15.015 5.322 3.111 1.00 0.00 C ATOM 1247 O GLN A 85 -16.019 4.957 3.723 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.063 5.658 4.620 1.00 0.00 C ATOM 1249 CG GLN A 85 -11.810 6.521 4.753 1.00 0.00 C ATOM 1250 CD GLN A 85 -10.730 5.765 5.523 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -9.744 5.324 4.935 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.863 5.580 6.806 1.00 0.00 N ATOM 0 H GLN A 85 -15.145 7.069 5.361 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.536 6.856 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.506 5.487 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.803 4.681 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.440 6.793 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.052 7.450 5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.681 5.947 7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.149 5.069 7.324 1.00 0.00 H new ATOM 1261 N SER A 86 -14.689 4.853 1.916 1.00 0.00 N ATOM 1262 CA SER A 86 -15.516 3.860 1.249 1.00 0.00 C ATOM 1263 C SER A 86 -14.657 2.690 0.791 1.00 0.00 C ATOM 1264 O SER A 86 -13.676 2.880 0.071 1.00 0.00 O ATOM 1265 CB SER A 86 -16.200 4.494 0.039 1.00 0.00 C ATOM 1266 OG SER A 86 -16.409 5.877 0.291 1.00 0.00 O ATOM 0 H SER A 86 -13.863 5.142 1.391 1.00 0.00 H new ATOM 0 HA SER A 86 -16.270 3.498 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.585 4.363 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.152 4.000 -0.156 1.00 0.00 H new ATOM 0 HG SER A 86 -16.984 6.254 -0.408 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.022 1.480 1.198 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.256 0.309 0.799 1.00 0.00 C ATOM 1274 C LEU A 87 -14.509 0.000 -0.671 1.00 0.00 C ATOM 1275 O LEU A 87 -15.630 -0.318 -1.065 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.650 -0.894 1.653 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.675 -2.041 1.396 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.302 -1.684 1.968 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.197 -3.308 2.075 1.00 0.00 C ATOM 0 H LEU A 87 -15.828 1.287 1.793 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.196 0.516 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.640 -0.623 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.667 -1.206 1.414 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.586 -2.211 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.607 -2.503 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.932 -0.779 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.388 -1.515 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.504 -4.130 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.284 -3.136 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.175 -3.562 1.668 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.465 0.115 -1.480 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.598 -0.134 -2.908 1.00 0.00 C ATOM 1293 C ILE A 88 -12.890 -1.423 -3.322 1.00 0.00 C ATOM 1294 O ILE A 88 -13.237 -2.024 -4.339 1.00 0.00 O ATOM 1295 CB ILE A 88 -13.018 1.053 -3.683 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.522 1.173 -3.377 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.733 2.337 -3.258 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.918 2.328 -4.180 1.00 0.00 C ATOM 0 H ILE A 88 -12.527 0.376 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.657 -0.250 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.160 0.898 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.372 1.342 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.015 0.241 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.321 3.182 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.798 2.248 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.590 2.496 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.854 2.408 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.053 2.140 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.416 3.259 -3.909 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.907 -1.853 -2.537 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.187 -3.086 -2.869 1.00 0.00 C ATOM 1312 C LEU A 89 -10.538 -3.714 -1.644 1.00 0.00 C ATOM 1313 O LEU A 89 -9.790 -3.062 -0.916 1.00 0.00 O ATOM 1314 CB LEU A 89 -10.108 -2.814 -3.916 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.478 -4.141 -4.356 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.456 -4.900 -5.258 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -8.188 -3.860 -5.131 1.00 0.00 C ATOM 0 H LEU A 89 -11.594 -1.383 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.924 -3.783 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.541 -2.302 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.344 -2.155 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.253 -4.744 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.007 -5.843 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.376 -5.101 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.682 -4.297 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.739 -4.803 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.416 -3.257 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.489 -3.320 -4.491 1.00 0.00 H new ATOM 1329 N SER A 90 -10.812 -4.996 -1.444 1.00 0.00 N ATOM 1330 CA SER A 90 -10.239 -5.734 -0.327 1.00 0.00 C ATOM 1331 C SER A 90 -9.661 -7.056 -0.825 1.00 0.00 C ATOM 1332 O SER A 90 -10.358 -7.838 -1.470 1.00 0.00 O ATOM 1333 CB SER A 90 -11.316 -6.005 0.721 1.00 0.00 C ATOM 1334 OG SER A 90 -10.802 -6.892 1.706 1.00 0.00 O ATOM 0 H SER A 90 -11.428 -5.547 -2.042 1.00 0.00 H new ATOM 0 HA SER A 90 -9.443 -5.141 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.631 -5.070 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.198 -6.439 0.249 1.00 0.00 H new ATOM 0 HG SER A 90 -10.325 -6.379 2.391 1.00 0.00 H new ATOM 1340 N THR A 91 -8.387 -7.302 -0.527 1.00 0.00 N ATOM 1341 CA THR A 91 -7.744 -8.540 -0.959 1.00 0.00 C ATOM 1342 C THR A 91 -6.597 -8.898 -0.026 1.00 0.00 C ATOM 1343 O THR A 91 -6.033 -8.032 0.635 1.00 0.00 O ATOM 1344 CB THR A 91 -7.215 -8.395 -2.389 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.864 -9.678 -2.889 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.984 -7.489 -2.397 1.00 0.00 C ATOM 0 H THR A 91 -7.787 -6.671 0.004 1.00 0.00 H new ATOM 0 HA THR A 91 -8.487 -9.337 -0.931 1.00 0.00 H new ATOM 0 HB THR A 91 -7.987 -7.953 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.526 -9.591 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.612 -7.390 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.253 -6.506 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.207 -7.925 -1.768 1.00 0.00 H new ATOM 1354 N SER A 92 -6.248 -10.178 0.013 1.00 0.00 N ATOM 1355 CA SER A 92 -5.154 -10.637 0.861 1.00 0.00 C ATOM 1356 C SER A 92 -4.027 -11.198 0.005 1.00 0.00 C ATOM 1357 O SER A 92 -4.253 -11.634 -1.124 1.00 0.00 O ATOM 1358 CB SER A 92 -5.646 -11.718 1.823 1.00 0.00 C ATOM 1359 OG SER A 92 -5.993 -12.883 1.083 1.00 0.00 O ATOM 0 H SER A 92 -6.703 -10.913 -0.529 1.00 0.00 H new ATOM 0 HA SER A 92 -4.784 -9.788 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.870 -11.953 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.509 -11.358 2.382 1.00 0.00 H new ATOM 0 HG SER A 92 -6.307 -13.579 1.697 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.815 -11.184 0.543 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.667 -11.696 -0.191 1.00 0.00 C ATOM 1367 C GLN A 93 -0.709 -12.426 0.730 1.00 0.00 C ATOM 1368 O GLN A 93 -0.686 -12.199 1.939 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.920 -10.553 -0.875 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.829 -9.876 -1.899 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.027 -8.842 -2.679 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.205 -8.597 -2.326 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.536 -8.240 -3.625 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.603 -10.828 1.475 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.042 -12.394 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.590 -9.827 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.025 -10.935 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.246 -10.619 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.669 -9.397 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.500 -8.437 -3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.994 -7.545 -4.138 1.00 0.00 H new ATOM 1382 N THR A 94 0.092 -13.291 0.136 1.00 0.00 N ATOM 1383 CA THR A 94 1.073 -14.046 0.886 1.00 0.00 C ATOM 1384 C THR A 94 2.455 -13.773 0.306 1.00 0.00 C ATOM 1385 O THR A 94 2.795 -14.271 -0.768 1.00 0.00 O ATOM 1386 CB THR A 94 0.742 -15.539 0.790 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.583 -15.691 0.298 1.00 0.00 O ATOM 1388 CG2 THR A 94 0.848 -16.201 2.168 1.00 0.00 C ATOM 0 H THR A 94 0.081 -13.487 -0.865 1.00 0.00 H new ATOM 0 HA THR A 94 1.058 -13.748 1.934 1.00 0.00 H new ATOM 0 HB THR A 94 1.452 -16.017 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.800 -16.644 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.610 -17.261 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.863 -16.087 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.147 -15.726 2.855 1.00 0.00 H new ATOM 1396 N THR A 95 3.244 -12.968 1.010 1.00 0.00 N ATOM 1397 CA THR A 95 4.580 -12.627 0.536 1.00 0.00 C ATOM 1398 C THR A 95 5.350 -13.887 0.154 1.00 0.00 C ATOM 1399 O THR A 95 5.173 -14.890 0.823 1.00 0.00 O ATOM 1400 CB THR A 95 5.347 -11.866 1.620 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.364 -12.635 2.814 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.666 -10.522 1.886 1.00 0.00 C ATOM 1403 OXT THR A 95 6.106 -13.827 -0.802 1.00 0.00 O ATOM 0 H THR A 95 2.985 -12.544 1.901 1.00 0.00 H new ATOM 0 HA THR A 95 4.479 -11.994 -0.345 1.00 0.00 H new ATOM 0 HB THR A 95 6.369 -11.691 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.553 -12.050 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.215 -9.983 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.655 -9.932 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.643 -10.692 2.220 1.00 0.00 H new TER 1411 THR A 95