USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 120:sc= 0.177 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.589 K(o=-0.41,f=-2) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 SER OG : rot -26:sc= 0.333 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.614 K(o=0.17,f=-6.2!) USER MOD Set 3.2: A 36 THR OG1 : rot 37:sc= -0.445 USER MOD Single : A 5 MET CE :methyl -131:sc= 0 (180deg=-0.0433) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -0.188 (180deg=-1.16) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -150:sc= -1.47 USER MOD Single : A 14 THR OG1 : rot 75:sc= 0.583 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.172 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00742 X(o=-0.0074,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.161 F(o=-0.69,f=-0.16) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0143) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0.212 (180deg=0.0531) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -84:sc= 0.233 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.591 -0.050 -2.910 1.00 0.00 N ATOM 19 CA ARG A 2 -1.506 -0.116 -4.044 1.00 0.00 C ATOM 20 C ARG A 2 -0.932 0.625 -5.249 1.00 0.00 C ATOM 21 O ARG A 2 -0.998 0.138 -6.377 1.00 0.00 O ATOM 22 CB ARG A 2 -2.864 0.478 -3.667 1.00 0.00 C ATOM 23 CG ARG A 2 -2.779 1.896 -3.126 1.00 0.00 C ATOM 24 CD ARG A 2 -4.096 2.335 -2.504 1.00 0.00 C ATOM 25 NE ARG A 2 -4.304 3.775 -2.623 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.369 4.406 -2.140 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.317 3.727 -1.509 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.487 5.720 -2.287 1.00 0.00 N ATOM 0 HA ARG A 2 -1.638 -1.164 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.510 0.471 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.335 -0.160 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.986 1.955 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.511 2.579 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.919 1.809 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.112 2.052 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.593 4.327 -3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.230 2.717 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.133 4.214 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.760 6.246 -2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.305 6.203 -1.916 1.00 0.00 H new ATOM 42 N GLU A 3 -0.369 1.803 -5.000 1.00 0.00 N ATOM 43 CA GLU A 3 0.214 2.611 -6.064 1.00 0.00 C ATOM 44 C GLU A 3 1.320 1.844 -6.784 1.00 0.00 C ATOM 45 O GLU A 3 1.521 2.008 -7.987 1.00 0.00 O ATOM 46 CB GLU A 3 0.771 3.918 -5.497 1.00 0.00 C ATOM 47 CG GLU A 3 -0.273 5.013 -5.354 1.00 0.00 C ATOM 48 CD GLU A 3 0.245 6.216 -4.591 1.00 0.00 C ATOM 49 OE1 GLU A 3 1.061 6.025 -3.665 1.00 0.00 O ATOM 50 OE2 GLU A 3 -0.165 7.349 -4.919 1.00 0.00 O ATOM 0 H GLU A 3 -0.304 2.219 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.573 2.842 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.215 3.721 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.572 4.274 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.601 5.329 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.147 4.612 -4.842 1.00 0.00 H new ATOM 57 N GLU A 4 2.035 1.008 -6.038 1.00 0.00 N ATOM 58 CA GLU A 4 3.121 0.217 -6.605 1.00 0.00 C ATOM 59 C GLU A 4 2.583 -0.835 -7.570 1.00 0.00 C ATOM 60 O GLU A 4 3.027 -0.928 -8.714 1.00 0.00 O ATOM 61 CB GLU A 4 3.924 -0.460 -5.492 1.00 0.00 C ATOM 62 CG GLU A 4 5.048 0.402 -4.942 1.00 0.00 C ATOM 63 CD GLU A 4 4.621 1.839 -4.710 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.737 2.651 -5.652 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.173 2.151 -3.587 1.00 0.00 O ATOM 0 H GLU A 4 1.882 0.861 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 4 3.776 0.891 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.249 -0.725 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.344 -1.391 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.402 -0.024 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.888 0.384 -5.637 1.00 0.00 H new ATOM 72 N MET A 5 1.623 -1.624 -7.100 1.00 0.00 N ATOM 73 CA MET A 5 1.023 -2.669 -7.921 1.00 0.00 C ATOM 74 C MET A 5 0.257 -2.066 -9.095 1.00 0.00 C ATOM 75 O MET A 5 0.319 -2.573 -10.215 1.00 0.00 O ATOM 76 CB MET A 5 0.086 -3.536 -7.077 1.00 0.00 C ATOM 77 CG MET A 5 -0.987 -2.742 -6.351 1.00 0.00 C ATOM 78 SD MET A 5 -2.038 -3.779 -5.316 1.00 0.00 S ATOM 79 CE MET A 5 -0.970 -4.040 -3.902 1.00 0.00 C ATOM 0 H MET A 5 1.244 -1.560 -6.155 1.00 0.00 H new ATOM 0 HA MET A 5 1.826 -3.292 -8.315 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.393 -4.273 -7.722 1.00 0.00 H new ATOM 0 HB3 MET A 5 0.676 -4.088 -6.345 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.513 -1.980 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.605 -2.221 -7.082 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.938 -5.103 -3.661 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.036 -3.691 -4.136 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.357 -3.486 -3.047 1.00 0.00 H new ATOM 89 N VAL A 6 -0.465 -0.982 -8.830 1.00 0.00 N ATOM 90 CA VAL A 6 -1.242 -0.310 -9.864 1.00 0.00 C ATOM 91 C VAL A 6 -0.333 0.300 -10.925 1.00 0.00 C ATOM 92 O VAL A 6 -0.583 0.169 -12.124 1.00 0.00 O ATOM 93 CB VAL A 6 -2.132 0.797 -9.268 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.831 1.574 -10.373 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.143 0.203 -8.299 1.00 0.00 C ATOM 0 H VAL A 6 -0.528 -0.551 -7.908 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.877 -1.067 -10.325 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.498 1.491 -8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.455 2.351 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.086 2.032 -11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.454 0.896 -10.956 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.763 0.999 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.774 -0.513 -8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.617 -0.303 -7.489 1.00 0.00 H new ATOM 105 N LYS A 7 0.724 0.968 -10.477 1.00 0.00 N ATOM 106 CA LYS A 7 1.674 1.598 -11.387 1.00 0.00 C ATOM 107 C LYS A 7 2.391 0.552 -12.234 1.00 0.00 C ATOM 108 O LYS A 7 2.535 0.712 -13.447 1.00 0.00 O ATOM 109 CB LYS A 7 2.696 2.421 -10.600 1.00 0.00 C ATOM 110 CG LYS A 7 3.597 3.272 -11.478 1.00 0.00 C ATOM 111 CD LYS A 7 4.098 4.501 -10.737 1.00 0.00 C ATOM 112 CE LYS A 7 3.113 5.655 -10.840 1.00 0.00 C ATOM 113 NZ LYS A 7 2.124 5.641 -9.727 1.00 0.00 N ATOM 0 H LYS A 7 0.945 1.087 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 7 1.119 2.260 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.167 3.069 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.313 1.747 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.446 2.677 -11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.051 3.581 -12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.261 4.253 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.061 4.806 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.658 6.599 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.588 5.600 -11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.967 6.612 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.225 5.243 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.488 5.058 -8.946 1.00 0.00 H new ATOM 127 N LYS A 8 2.839 -0.519 -11.589 1.00 0.00 N ATOM 128 CA LYS A 8 3.540 -1.594 -12.283 1.00 0.00 C ATOM 129 C LYS A 8 2.647 -2.228 -13.344 1.00 0.00 C ATOM 130 O LYS A 8 3.068 -2.430 -14.484 1.00 0.00 O ATOM 131 CB LYS A 8 4.000 -2.659 -11.285 1.00 0.00 C ATOM 132 CG LYS A 8 4.676 -3.852 -11.938 1.00 0.00 C ATOM 133 CD LYS A 8 5.965 -3.449 -12.635 1.00 0.00 C ATOM 134 CE LYS A 8 7.069 -3.144 -11.634 1.00 0.00 C ATOM 135 NZ LYS A 8 7.897 -4.345 -11.339 1.00 0.00 N ATOM 0 H LYS A 8 2.729 -0.667 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 8 4.413 -1.166 -12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.690 -2.205 -10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.139 -3.007 -10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.891 -4.608 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.997 -4.306 -12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.286 -4.251 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.785 -2.573 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.706 -2.351 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.628 -2.771 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.638 -4.096 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.294 -5.093 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.338 -4.686 -12.217 1.00 0.00 H new ATOM 149 N CYS A 9 1.413 -2.540 -12.964 1.00 0.00 N ATOM 150 CA CYS A 9 0.460 -3.151 -13.883 1.00 0.00 C ATOM 151 C CYS A 9 0.204 -2.245 -15.083 1.00 0.00 C ATOM 152 O CYS A 9 0.282 -2.682 -16.233 1.00 0.00 O ATOM 153 CB CYS A 9 -0.857 -3.448 -13.164 1.00 0.00 C ATOM 154 SG CYS A 9 -1.167 -5.208 -12.889 1.00 0.00 S ATOM 0 H CYS A 9 1.049 -2.380 -12.025 1.00 0.00 H new ATOM 0 HA CYS A 9 0.889 -4.087 -14.241 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.857 -2.935 -12.202 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.679 -3.032 -13.747 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.448 -5.428 -12.887 1.00 0.00 H new ATOM 160 N LEU A 10 -0.102 -0.982 -14.809 1.00 0.00 N ATOM 161 CA LEU A 10 -0.370 -0.013 -15.866 1.00 0.00 C ATOM 162 C LEU A 10 0.825 0.114 -16.806 1.00 0.00 C ATOM 163 O LEU A 10 0.663 0.265 -18.016 1.00 0.00 O ATOM 164 CB LEU A 10 -0.706 1.352 -15.262 1.00 0.00 C ATOM 165 CG LEU A 10 -2.118 1.506 -14.696 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.305 2.894 -14.101 1.00 0.00 C ATOM 167 CD2 LEU A 10 -3.157 1.242 -15.775 1.00 0.00 C ATOM 0 H LEU A 10 -0.171 -0.605 -13.864 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.225 -0.369 -16.441 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.008 1.560 -14.465 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.559 2.113 -16.029 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.253 0.771 -13.903 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.316 2.986 -13.703 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.583 3.046 -13.298 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.150 3.646 -14.875 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.156 1.356 -15.354 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.023 1.953 -16.590 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.037 0.227 -16.155 1.00 0.00 H new ATOM 179 N GLY A 11 2.026 0.050 -16.239 1.00 0.00 N ATOM 180 CA GLY A 11 3.231 0.157 -17.040 1.00 0.00 C ATOM 181 C GLY A 11 3.392 -1.003 -18.003 1.00 0.00 C ATOM 182 O GLY A 11 3.568 -0.801 -19.204 1.00 0.00 O ATOM 0 H GLY A 11 2.186 -0.074 -15.239 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.209 1.091 -17.602 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.099 0.202 -16.382 1.00 0.00 H new ATOM 186 N GLU A 12 3.334 -2.221 -17.474 1.00 0.00 N ATOM 187 CA GLU A 12 3.478 -3.418 -18.295 1.00 0.00 C ATOM 188 C GLU A 12 2.301 -3.563 -19.256 1.00 0.00 C ATOM 189 O GLU A 12 2.437 -4.128 -20.342 1.00 0.00 O ATOM 190 CB GLU A 12 3.584 -4.661 -17.410 1.00 0.00 C ATOM 191 CG GLU A 12 2.418 -4.826 -16.450 1.00 0.00 C ATOM 192 CD GLU A 12 1.187 -5.403 -17.120 1.00 0.00 C ATOM 193 OE1 GLU A 12 1.328 -6.005 -18.205 1.00 0.00 O ATOM 194 OE2 GLU A 12 0.081 -5.253 -16.559 1.00 0.00 O ATOM 0 H GLU A 12 3.188 -2.405 -16.481 1.00 0.00 H new ATOM 0 HA GLU A 12 4.392 -3.319 -18.880 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.648 -5.544 -18.045 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.510 -4.611 -16.838 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.718 -5.476 -15.628 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.170 -3.857 -16.016 1.00 0.00 H new ATOM 201 N LEU A 13 1.146 -3.048 -18.849 1.00 0.00 N ATOM 202 CA LEU A 13 -0.056 -3.120 -19.672 1.00 0.00 C ATOM 203 C LEU A 13 0.064 -2.213 -20.892 1.00 0.00 C ATOM 204 O LEU A 13 -0.357 -2.573 -21.992 1.00 0.00 O ATOM 205 CB LEU A 13 -1.285 -2.727 -18.850 1.00 0.00 C ATOM 206 CG LEU A 13 -2.635 -3.194 -19.396 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.664 -4.709 -19.524 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.768 -2.710 -18.503 1.00 0.00 C ATOM 0 H LEU A 13 1.017 -2.576 -17.954 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.170 -4.148 -20.016 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.166 -3.125 -17.842 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.307 -1.641 -18.763 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.772 -2.764 -20.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.632 -5.023 -19.914 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.877 -5.032 -20.205 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.504 -5.160 -18.545 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.721 -3.052 -18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.635 -3.110 -17.498 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.760 -1.621 -18.464 1.00 0.00 H new ATOM 220 N THR A 14 0.645 -1.034 -20.692 1.00 0.00 N ATOM 221 CA THR A 14 0.823 -0.075 -21.775 1.00 0.00 C ATOM 222 C THR A 14 1.738 -0.634 -22.859 1.00 0.00 C ATOM 223 O THR A 14 1.419 -0.571 -24.046 1.00 0.00 O ATOM 224 CB THR A 14 1.409 1.253 -21.260 1.00 0.00 C ATOM 225 OG1 THR A 14 0.452 1.921 -20.430 1.00 0.00 O ATOM 226 CG2 THR A 14 1.802 2.157 -22.419 1.00 0.00 C ATOM 0 H THR A 14 1.001 -0.720 -19.789 1.00 0.00 H new ATOM 0 HA THR A 14 -0.165 0.112 -22.197 1.00 0.00 H new ATOM 0 HB THR A 14 2.302 1.029 -20.676 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.403 1.472 -19.560 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.213 3.089 -22.030 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.552 1.657 -23.032 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.923 2.374 -23.026 1.00 0.00 H new ATOM 234 N GLU A 15 2.876 -1.181 -22.443 1.00 0.00 N ATOM 235 CA GLU A 15 3.837 -1.750 -23.380 1.00 0.00 C ATOM 236 C GLU A 15 3.247 -2.963 -24.094 1.00 0.00 C ATOM 237 O GLU A 15 3.353 -3.092 -25.314 1.00 0.00 O ATOM 238 CB GLU A 15 5.121 -2.149 -22.650 1.00 0.00 C ATOM 239 CG GLU A 15 4.885 -3.073 -21.467 1.00 0.00 C ATOM 240 CD GLU A 15 6.141 -3.304 -20.648 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.620 -2.340 -20.015 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.644 -4.447 -20.641 1.00 0.00 O ATOM 0 H GLU A 15 3.155 -1.242 -21.464 1.00 0.00 H new ATOM 0 HA GLU A 15 4.073 -0.990 -24.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.793 -2.639 -23.355 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.626 -1.248 -22.302 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.112 -2.648 -20.827 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.510 -4.031 -21.828 1.00 0.00 H new ATOM 249 N VAL A 16 2.625 -3.851 -23.325 1.00 0.00 N ATOM 250 CA VAL A 16 2.017 -5.054 -23.882 1.00 0.00 C ATOM 251 C VAL A 16 0.879 -4.703 -24.833 1.00 0.00 C ATOM 252 O VAL A 16 0.795 -5.236 -25.941 1.00 0.00 O ATOM 253 CB VAL A 16 1.480 -5.977 -22.772 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.667 -7.114 -23.371 1.00 0.00 C ATOM 255 CG2 VAL A 16 2.624 -6.516 -21.927 1.00 0.00 C ATOM 0 H VAL A 16 2.529 -3.760 -22.314 1.00 0.00 H new ATOM 0 HA VAL A 16 2.798 -5.579 -24.433 1.00 0.00 H new ATOM 0 HB VAL A 16 0.824 -5.395 -22.125 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.296 -7.756 -22.572 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.175 -6.705 -23.929 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.297 -7.698 -24.042 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.226 -7.166 -21.148 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.307 -7.083 -22.559 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.160 -5.685 -21.468 1.00 0.00 H new ATOM 265 N CYS A 17 0.004 -3.806 -24.394 1.00 0.00 N ATOM 266 CA CYS A 17 -1.132 -3.384 -25.206 1.00 0.00 C ATOM 267 C CYS A 17 -0.663 -2.646 -26.456 1.00 0.00 C ATOM 268 O CYS A 17 -1.260 -2.771 -27.525 1.00 0.00 O ATOM 269 CB CYS A 17 -2.065 -2.488 -24.390 1.00 0.00 C ATOM 270 SG CYS A 17 -3.094 -3.381 -23.202 1.00 0.00 S ATOM 0 H CYS A 17 0.059 -3.356 -23.480 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.676 -4.276 -25.516 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.467 -1.751 -23.854 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.712 -1.938 -25.073 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.846 -2.538 -22.560 1.00 0.00 H new ATOM 276 N LYS A 18 0.411 -1.876 -26.314 1.00 0.00 N ATOM 277 CA LYS A 18 0.962 -1.117 -27.430 1.00 0.00 C ATOM 278 C LYS A 18 1.511 -2.050 -28.504 1.00 0.00 C ATOM 279 O LYS A 18 1.235 -1.877 -29.691 1.00 0.00 O ATOM 280 CB LYS A 18 2.067 -0.179 -26.939 1.00 0.00 C ATOM 281 CG LYS A 18 2.605 0.744 -28.019 1.00 0.00 C ATOM 282 CD LYS A 18 3.997 1.249 -27.678 1.00 0.00 C ATOM 283 CE LYS A 18 3.946 2.375 -26.657 1.00 0.00 C ATOM 284 NZ LYS A 18 5.270 3.037 -26.494 1.00 0.00 N ATOM 0 H LYS A 18 0.917 -1.761 -25.436 1.00 0.00 H new ATOM 0 HA LYS A 18 0.158 -0.524 -27.866 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.682 0.424 -26.116 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.888 -0.775 -26.540 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.632 0.214 -28.971 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.930 1.591 -28.145 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.597 0.428 -27.286 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.490 1.600 -28.584 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.207 3.113 -26.967 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.617 1.979 -25.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.193 3.798 -25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.970 2.338 -26.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.573 3.437 -27.405 1.00 0.00 H new ATOM 298 N SER A 19 2.290 -3.040 -28.080 1.00 0.00 N ATOM 299 CA SER A 19 2.881 -3.999 -29.006 1.00 0.00 C ATOM 300 C SER A 19 1.799 -4.824 -29.697 1.00 0.00 C ATOM 301 O SER A 19 1.829 -5.014 -30.913 1.00 0.00 O ATOM 302 CB SER A 19 3.849 -4.924 -28.266 1.00 0.00 C ATOM 303 OG SER A 19 4.746 -5.550 -29.168 1.00 0.00 O ATOM 0 H SER A 19 2.527 -3.199 -27.101 1.00 0.00 H new ATOM 0 HA SER A 19 3.430 -3.443 -29.766 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.411 -4.352 -27.528 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.287 -5.683 -27.721 1.00 0.00 H new ATOM 0 HG SER A 19 5.355 -6.135 -28.671 1.00 0.00 H new ATOM 309 N LEU A 20 0.844 -5.311 -28.912 1.00 0.00 N ATOM 310 CA LEU A 20 -0.249 -6.116 -29.446 1.00 0.00 C ATOM 311 C LEU A 20 -1.111 -5.298 -30.402 1.00 0.00 C ATOM 312 O LEU A 20 -1.497 -5.774 -31.469 1.00 0.00 O ATOM 313 CB LEU A 20 -1.110 -6.664 -28.307 1.00 0.00 C ATOM 314 CG LEU A 20 -0.514 -7.830 -27.517 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.306 -8.070 -26.241 1.00 0.00 C ATOM 316 CD2 LEU A 20 -0.480 -9.090 -28.370 1.00 0.00 C ATOM 0 H LEU A 20 0.805 -5.162 -27.904 1.00 0.00 H new ATOM 0 HA LEU A 20 0.184 -6.950 -29.999 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.320 -5.850 -27.613 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.066 -6.983 -28.722 1.00 0.00 H new ATOM 0 HG LEU A 20 0.509 -7.573 -27.243 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.867 -8.903 -25.692 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.279 -7.173 -25.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.340 -8.306 -26.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.053 -9.909 -27.792 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.494 -9.351 -28.675 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.131 -8.914 -29.255 1.00 0.00 H new ATOM 328 N GLY A 21 -1.408 -4.062 -30.013 1.00 0.00 N ATOM 329 CA GLY A 21 -2.220 -3.196 -30.847 1.00 0.00 C ATOM 330 C GLY A 21 -1.485 -2.729 -32.088 1.00 0.00 C ATOM 331 O GLY A 21 -2.102 -2.444 -33.114 1.00 0.00 O ATOM 0 H GLY A 21 -1.100 -3.645 -29.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.125 -3.726 -31.143 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.534 -2.328 -30.267 1.00 0.00 H new ATOM 335 N LYS A 22 -0.162 -2.650 -31.995 1.00 0.00 N ATOM 336 CA LYS A 22 0.660 -2.214 -33.118 1.00 0.00 C ATOM 337 C LYS A 22 0.736 -3.298 -34.188 1.00 0.00 C ATOM 338 O LYS A 22 0.563 -3.024 -35.376 1.00 0.00 O ATOM 339 CB LYS A 22 2.068 -1.857 -32.637 1.00 0.00 C ATOM 340 CG LYS A 22 2.218 -0.403 -32.222 1.00 0.00 C ATOM 341 CD LYS A 22 2.588 0.478 -33.404 1.00 0.00 C ATOM 342 CE LYS A 22 1.353 0.948 -34.157 1.00 0.00 C ATOM 343 NZ LYS A 22 1.641 2.132 -35.012 1.00 0.00 N ATOM 0 H LYS A 22 0.364 -2.882 -31.153 1.00 0.00 H new ATOM 0 HA LYS A 22 0.197 -1.329 -33.554 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.327 -2.496 -31.793 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.781 -2.075 -33.432 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.285 -0.051 -31.782 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.984 -0.321 -31.451 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.152 1.342 -33.053 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.240 -0.074 -34.081 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.975 0.135 -34.778 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.567 1.197 -33.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.774 2.421 -35.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.977 2.916 -34.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.373 1.887 -35.709 1.00 0.00 H new ATOM 357 N VAL A 23 0.996 -4.529 -33.760 1.00 0.00 N ATOM 358 CA VAL A 23 1.093 -5.655 -34.683 1.00 0.00 C ATOM 359 C VAL A 23 -0.261 -5.969 -35.310 1.00 0.00 C ATOM 360 O VAL A 23 -0.349 -6.283 -36.497 1.00 0.00 O ATOM 361 CB VAL A 23 1.624 -6.916 -33.975 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.054 -6.701 -33.503 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.720 -7.293 -32.811 1.00 0.00 C ATOM 0 H VAL A 23 1.143 -4.773 -32.781 1.00 0.00 H new ATOM 0 HA VAL A 23 1.794 -5.364 -35.466 1.00 0.00 H new ATOM 0 HB VAL A 23 1.623 -7.740 -34.688 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.412 -7.602 -33.005 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.691 -6.482 -34.360 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.085 -5.864 -32.805 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.110 -8.186 -32.322 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.687 -6.472 -32.095 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.286 -7.492 -33.181 1.00 0.00 H new ATOM 373 N PHE A 24 -1.314 -5.881 -34.505 1.00 0.00 N ATOM 374 CA PHE A 24 -2.665 -6.157 -34.981 1.00 0.00 C ATOM 375 C PHE A 24 -3.062 -5.182 -36.085 1.00 0.00 C ATOM 376 O PHE A 24 -3.969 -5.453 -36.871 1.00 0.00 O ATOM 377 CB PHE A 24 -3.664 -6.070 -33.825 1.00 0.00 C ATOM 378 CG PHE A 24 -4.928 -6.844 -34.065 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.949 -8.222 -33.925 1.00 0.00 C ATOM 380 CD2 PHE A 24 -6.095 -6.194 -34.432 1.00 0.00 C ATOM 381 CE1 PHE A 24 -6.111 -8.938 -34.145 1.00 0.00 C ATOM 382 CE2 PHE A 24 -7.260 -6.904 -34.653 1.00 0.00 C ATOM 383 CZ PHE A 24 -7.268 -8.278 -34.511 1.00 0.00 C ATOM 0 H PHE A 24 -1.259 -5.621 -33.520 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.680 -7.167 -35.390 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.189 -6.439 -32.916 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.916 -5.024 -33.651 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.047 -8.743 -33.641 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.094 -5.120 -34.547 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.114 -10.012 -34.031 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.164 -6.385 -34.937 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.177 -8.835 -34.686 1.00 0.00 H new ATOM 393 N GLY A 25 -2.375 -4.044 -36.138 1.00 0.00 N ATOM 394 CA GLY A 25 -2.670 -3.046 -37.148 1.00 0.00 C ATOM 395 C GLY A 25 -3.586 -1.953 -36.633 1.00 0.00 C ATOM 396 O GLY A 25 -4.402 -1.412 -37.381 1.00 0.00 O ATOM 0 H GLY A 25 -1.620 -3.796 -35.499 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.738 -2.601 -37.497 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.134 -3.530 -38.008 1.00 0.00 H new ATOM 400 N VAL A 26 -3.454 -1.627 -35.351 1.00 0.00 N ATOM 401 CA VAL A 26 -4.276 -0.592 -34.736 1.00 0.00 C ATOM 402 C VAL A 26 -3.461 0.254 -33.766 1.00 0.00 C ATOM 403 O VAL A 26 -2.243 0.101 -33.664 1.00 0.00 O ATOM 404 CB VAL A 26 -5.476 -1.201 -33.987 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.307 -2.067 -34.921 1.00 0.00 C ATOM 406 CG2 VAL A 26 -5.002 -2.002 -32.784 1.00 0.00 C ATOM 0 H VAL A 26 -2.785 -2.065 -34.718 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.644 0.041 -35.543 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.107 -0.388 -33.628 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.150 -2.488 -34.373 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.678 -1.460 -35.747 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.690 -2.875 -35.314 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.863 -2.425 -32.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.348 -2.807 -33.118 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.455 -1.348 -32.104 1.00 0.00 H new ATOM 416 N HIS A 27 -4.139 1.147 -33.053 1.00 0.00 N ATOM 417 CA HIS A 27 -3.477 2.018 -32.088 1.00 0.00 C ATOM 418 C HIS A 27 -3.814 1.602 -30.660 1.00 0.00 C ATOM 419 O HIS A 27 -4.787 0.885 -30.424 1.00 0.00 O ATOM 420 CB HIS A 27 -3.887 3.473 -32.318 1.00 0.00 C ATOM 421 CG HIS A 27 -3.082 4.163 -33.375 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.642 4.719 -34.505 1.00 0.00 N ATOM 423 CD2 HIS A 27 -1.750 4.387 -33.468 1.00 0.00 C ATOM 424 CE1 HIS A 27 -2.690 5.253 -35.249 1.00 0.00 C ATOM 425 NE2 HIS A 27 -1.532 5.066 -34.642 1.00 0.00 N ATOM 0 H HIS A 27 -5.147 1.287 -33.125 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.400 1.925 -32.230 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.940 3.505 -32.597 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.788 4.022 -31.382 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.999 4.088 -32.752 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.834 5.757 -36.193 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.624 5.375 -34.988 1.00 0.00 H new ATOM 433 N TYR A 28 -3.004 2.055 -29.710 1.00 0.00 N ATOM 434 CA TYR A 28 -3.214 1.726 -28.305 1.00 0.00 C ATOM 435 C TYR A 28 -4.600 2.166 -27.844 1.00 0.00 C ATOM 436 O TYR A 28 -5.261 1.469 -27.074 1.00 0.00 O ATOM 437 CB TYR A 28 -2.142 2.390 -27.439 1.00 0.00 C ATOM 438 CG TYR A 28 -2.140 3.899 -27.528 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.414 4.556 -28.514 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.865 4.669 -26.626 1.00 0.00 C ATOM 441 CE1 TYR A 28 -1.409 5.935 -28.598 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.867 6.048 -26.704 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.137 6.676 -27.691 1.00 0.00 C ATOM 444 OH TYR A 28 -2.136 8.050 -27.773 1.00 0.00 O ATOM 0 H TYR A 28 -2.196 2.651 -29.887 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.141 0.644 -28.196 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.293 2.096 -26.400 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.163 2.016 -27.737 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.844 3.979 -29.227 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.437 4.181 -25.851 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.838 6.430 -29.370 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.437 6.631 -25.996 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.699 8.421 -27.062 1.00 0.00 H new ATOM 454 N PHE A 29 -5.034 3.327 -28.322 1.00 0.00 N ATOM 455 CA PHE A 29 -6.342 3.862 -27.960 1.00 0.00 C ATOM 456 C PHE A 29 -7.456 3.111 -28.684 1.00 0.00 C ATOM 457 O PHE A 29 -8.624 3.201 -28.309 1.00 0.00 O ATOM 458 CB PHE A 29 -6.417 5.354 -28.293 1.00 0.00 C ATOM 459 CG PHE A 29 -7.306 6.131 -27.365 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.869 6.484 -26.099 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.580 6.508 -27.760 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.685 7.200 -25.243 1.00 0.00 C ATOM 463 CE2 PHE A 29 -9.400 7.224 -26.908 1.00 0.00 C ATOM 464 CZ PHE A 29 -8.952 7.570 -25.648 1.00 0.00 C ATOM 0 H PHE A 29 -4.500 3.916 -28.961 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.476 3.730 -26.886 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.413 5.776 -28.260 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.779 5.472 -29.314 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.879 6.197 -25.777 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.936 6.240 -28.744 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.332 7.470 -24.259 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.390 7.513 -27.227 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.592 8.129 -24.981 1.00 0.00 H new ATOM 474 N ASN A 30 -7.084 2.371 -29.723 1.00 0.00 N ATOM 475 CA ASN A 30 -8.051 1.606 -30.501 1.00 0.00 C ATOM 476 C ASN A 30 -8.415 0.306 -29.790 1.00 0.00 C ATOM 477 O ASN A 30 -9.392 -0.355 -30.144 1.00 0.00 O ATOM 478 CB ASN A 30 -7.490 1.299 -31.891 1.00 0.00 C ATOM 479 CG ASN A 30 -8.544 0.746 -32.831 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.500 -0.560 -33.067 1.00 0.00 O flip ATOM 481 ND2 ASN A 30 -9.389 1.485 -33.338 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.120 2.285 -30.046 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.954 2.208 -30.605 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.067 2.208 -32.318 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.675 0.581 -31.800 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.385 2.483 -33.128 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.093 1.099 -33.967 1.00 0.00 H new ATOM 488 N ILE A 31 -7.623 -0.054 -28.785 1.00 0.00 N ATOM 489 CA ILE A 31 -7.863 -1.273 -28.023 1.00 0.00 C ATOM 490 C ILE A 31 -8.265 -0.953 -26.587 1.00 0.00 C ATOM 491 O ILE A 31 -9.168 -1.577 -26.029 1.00 0.00 O ATOM 492 CB ILE A 31 -6.619 -2.180 -28.006 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.365 -1.358 -27.703 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.475 -2.906 -29.336 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.093 -2.177 -27.694 1.00 0.00 C ATOM 0 H ILE A 31 -6.810 0.481 -28.480 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.679 -1.799 -28.518 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.741 -2.924 -27.219 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.272 -0.565 -28.445 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.483 -0.874 -26.733 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.591 -3.543 -29.309 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.359 -3.519 -29.514 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.372 -2.177 -30.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.245 -1.529 -27.473 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.165 -2.953 -26.932 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.951 -2.639 -28.671 1.00 0.00 H new ATOM 507 N PHE A 32 -7.588 0.025 -25.993 1.00 0.00 N ATOM 508 CA PHE A 32 -7.875 0.429 -24.621 1.00 0.00 C ATOM 509 C PHE A 32 -7.561 1.908 -24.413 1.00 0.00 C ATOM 510 O PHE A 32 -6.624 2.443 -25.004 1.00 0.00 O ATOM 511 CB PHE A 32 -7.065 -0.419 -23.638 1.00 0.00 C ATOM 512 CG PHE A 32 -7.639 -1.789 -23.415 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.978 -1.951 -23.098 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.839 -2.915 -23.523 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.507 -3.211 -22.892 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.363 -4.178 -23.319 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.699 -4.326 -23.003 1.00 0.00 C ATOM 0 H PHE A 32 -6.838 0.552 -26.440 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.938 0.272 -24.436 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.045 -0.517 -24.010 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.007 0.102 -22.682 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.615 -1.083 -23.011 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.793 -2.805 -23.770 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.552 -3.324 -22.644 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.728 -5.047 -23.407 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.111 -5.311 -22.843 1.00 0.00 H new ATOM 527 N ASN A 33 -8.353 2.561 -23.569 1.00 0.00 N ATOM 528 CA ASN A 33 -8.161 3.979 -23.283 1.00 0.00 C ATOM 529 C ASN A 33 -7.656 4.183 -21.858 1.00 0.00 C ATOM 530 O ASN A 33 -7.637 3.250 -21.054 1.00 0.00 O ATOM 531 CB ASN A 33 -9.471 4.743 -23.487 1.00 0.00 C ATOM 532 CG ASN A 33 -10.669 3.993 -22.939 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.038 4.155 -21.775 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.284 3.167 -23.777 1.00 0.00 N ATOM 0 H ASN A 33 -9.133 2.132 -23.071 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.411 4.366 -23.973 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.401 5.716 -23.000 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.618 4.929 -24.551 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.097 2.636 -23.465 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.944 3.064 -24.733 1.00 0.00 H new ATOM 541 N THR A 34 -7.249 5.410 -21.550 1.00 0.00 N ATOM 542 CA THR A 34 -6.744 5.737 -20.223 1.00 0.00 C ATOM 543 C THR A 34 -7.721 5.298 -19.139 1.00 0.00 C ATOM 544 O THR A 34 -7.331 4.669 -18.155 1.00 0.00 O ATOM 545 CB THR A 34 -6.480 7.248 -20.079 1.00 0.00 C ATOM 546 OG1 THR A 34 -7.593 7.991 -20.590 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.213 7.650 -20.819 1.00 0.00 C ATOM 0 H THR A 34 -7.259 6.194 -22.202 1.00 0.00 H new ATOM 0 HA THR A 34 -5.804 5.198 -20.101 1.00 0.00 H new ATOM 0 HB THR A 34 -6.349 7.472 -19.020 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.418 8.950 -20.493 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.048 8.721 -20.703 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.363 7.105 -20.408 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.319 7.412 -21.877 1.00 0.00 H new ATOM 555 N VAL A 35 -8.994 5.633 -19.325 1.00 0.00 N ATOM 556 CA VAL A 35 -10.028 5.271 -18.363 1.00 0.00 C ATOM 557 C VAL A 35 -10.099 3.759 -18.175 1.00 0.00 C ATOM 558 O VAL A 35 -10.100 3.261 -17.049 1.00 0.00 O ATOM 559 CB VAL A 35 -11.411 5.787 -18.804 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.444 5.544 -17.716 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.338 7.264 -19.161 1.00 0.00 C ATOM 0 H VAL A 35 -9.334 6.154 -20.133 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.758 5.740 -17.417 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.719 5.236 -19.693 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.414 5.915 -18.046 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.514 4.475 -17.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.145 6.067 -16.807 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.323 7.613 -19.470 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.008 7.833 -18.291 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.630 7.406 -19.977 1.00 0.00 H new ATOM 571 N THR A 36 -10.158 3.032 -19.287 1.00 0.00 N ATOM 572 CA THR A 36 -10.230 1.577 -19.245 1.00 0.00 C ATOM 573 C THR A 36 -9.055 0.991 -18.472 1.00 0.00 C ATOM 574 O THR A 36 -9.238 0.169 -17.572 1.00 0.00 O ATOM 575 CB THR A 36 -10.249 0.975 -20.663 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.283 1.588 -21.442 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.471 -0.529 -20.609 1.00 0.00 C ATOM 0 H THR A 36 -10.157 3.427 -20.227 1.00 0.00 H new ATOM 0 HA THR A 36 -11.160 1.321 -18.737 1.00 0.00 H new ATOM 0 HB THR A 36 -9.282 1.167 -21.129 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.347 2.538 -21.211 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.481 -0.932 -21.622 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.666 -0.995 -20.041 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.425 -0.739 -20.126 1.00 0.00 H new ATOM 585 N LEU A 37 -7.848 1.417 -18.826 1.00 0.00 N ATOM 586 CA LEU A 37 -6.641 0.934 -18.164 1.00 0.00 C ATOM 587 C LEU A 37 -6.692 1.215 -16.666 1.00 0.00 C ATOM 588 O LEU A 37 -6.293 0.382 -15.853 1.00 0.00 O ATOM 589 CB LEU A 37 -5.402 1.591 -18.776 1.00 0.00 C ATOM 590 CG LEU A 37 -5.217 1.403 -20.282 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.300 2.477 -20.846 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.665 0.017 -20.582 1.00 0.00 C ATOM 0 H LEU A 37 -7.679 2.096 -19.568 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.583 -0.144 -18.311 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.441 2.660 -18.566 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.520 1.198 -18.270 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.191 1.497 -20.763 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.180 2.327 -21.919 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.735 3.460 -20.664 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.326 2.416 -20.360 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.540 -0.100 -21.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.701 -0.105 -20.089 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.359 -0.739 -20.214 1.00 0.00 H new ATOM 604 N LYS A 38 -7.187 2.395 -16.307 1.00 0.00 N ATOM 605 CA LYS A 38 -7.295 2.787 -14.907 1.00 0.00 C ATOM 606 C LYS A 38 -8.237 1.854 -14.152 1.00 0.00 C ATOM 607 O LYS A 38 -7.971 1.477 -13.010 1.00 0.00 O ATOM 608 CB LYS A 38 -7.792 4.230 -14.796 1.00 0.00 C ATOM 609 CG LYS A 38 -7.453 4.889 -13.470 1.00 0.00 C ATOM 610 CD LYS A 38 -8.273 6.150 -13.250 1.00 0.00 C ATOM 611 CE LYS A 38 -7.889 7.244 -14.235 1.00 0.00 C ATOM 612 NZ LYS A 38 -6.577 7.860 -13.896 1.00 0.00 N ATOM 0 H LYS A 38 -7.520 3.097 -16.968 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.304 2.716 -14.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.359 4.818 -15.606 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.873 4.245 -14.934 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.637 4.187 -12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.391 5.135 -13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.333 5.919 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.125 6.508 -12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.845 6.828 -15.241 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.661 8.014 -14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.399 8.667 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.593 8.190 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.822 7.155 -14.013 1.00 0.00 H new ATOM 626 N LYS A 39 -9.338 1.483 -14.797 1.00 0.00 N ATOM 627 CA LYS A 39 -10.318 0.592 -14.189 1.00 0.00 C ATOM 628 C LYS A 39 -9.720 -0.789 -13.944 1.00 0.00 C ATOM 629 O LYS A 39 -9.843 -1.346 -12.852 1.00 0.00 O ATOM 630 CB LYS A 39 -11.554 0.474 -15.083 1.00 0.00 C ATOM 631 CG LYS A 39 -12.828 0.154 -14.321 1.00 0.00 C ATOM 632 CD LYS A 39 -13.326 1.357 -13.538 1.00 0.00 C ATOM 633 CE LYS A 39 -14.161 2.283 -14.409 1.00 0.00 C ATOM 634 NZ LYS A 39 -14.733 3.414 -13.628 1.00 0.00 N ATOM 0 H LYS A 39 -9.574 1.786 -15.742 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.611 1.016 -13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.690 1.410 -15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.381 -0.303 -15.827 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.599 -0.171 -15.020 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.646 -0.676 -13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.921 1.019 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.476 1.906 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.544 2.675 -15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.969 1.716 -14.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.295 4.022 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.342 3.041 -12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.962 3.971 -13.208 1.00 0.00 H new ATOM 648 N LEU A 40 -9.071 -1.337 -14.966 1.00 0.00 N ATOM 649 CA LEU A 40 -8.452 -2.654 -14.861 1.00 0.00 C ATOM 650 C LEU A 40 -7.374 -2.664 -13.782 1.00 0.00 C ATOM 651 O LEU A 40 -7.347 -3.548 -12.926 1.00 0.00 O ATOM 652 CB LEU A 40 -7.848 -3.063 -16.205 1.00 0.00 C ATOM 653 CG LEU A 40 -8.814 -3.689 -17.212 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.626 -4.795 -16.557 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.732 -2.627 -17.801 1.00 0.00 C ATOM 0 H LEU A 40 -8.960 -0.890 -15.876 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.225 -3.371 -14.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.399 -2.181 -16.662 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.041 -3.771 -16.018 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.231 -4.127 -18.022 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.308 -5.228 -17.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.954 -5.568 -16.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.200 -4.383 -15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.413 -3.090 -18.515 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.308 -2.160 -17.002 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.134 -1.870 -18.308 1.00 0.00 H new ATOM 667 N ALA A 41 -6.488 -1.675 -13.828 1.00 0.00 N ATOM 668 CA ALA A 41 -5.411 -1.568 -12.852 1.00 0.00 C ATOM 669 C ALA A 41 -5.961 -1.319 -11.452 1.00 0.00 C ATOM 670 O ALA A 41 -5.449 -1.856 -10.470 1.00 0.00 O ATOM 671 CB ALA A 41 -4.448 -0.458 -13.248 1.00 0.00 C ATOM 0 H ALA A 41 -6.495 -0.936 -14.531 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.871 -2.515 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.649 -0.389 -12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.021 -0.679 -14.226 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.984 0.490 -13.292 1.00 0.00 H new ATOM 677 N GLU A 42 -7.006 -0.502 -11.368 1.00 0.00 N ATOM 678 CA GLU A 42 -7.624 -0.181 -10.087 1.00 0.00 C ATOM 679 C GLU A 42 -8.222 -1.429 -9.444 1.00 0.00 C ATOM 680 O GLU A 42 -8.065 -1.659 -8.245 1.00 0.00 O ATOM 681 CB GLU A 42 -8.710 0.881 -10.271 1.00 0.00 C ATOM 682 CG GLU A 42 -8.179 2.305 -10.241 1.00 0.00 C ATOM 683 CD GLU A 42 -9.206 3.320 -10.705 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.655 3.222 -11.866 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.561 4.212 -9.906 1.00 0.00 O ATOM 0 H GLU A 42 -7.442 -0.050 -12.172 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.850 0.212 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.216 0.711 -11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.458 0.764 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.864 2.550 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.295 2.373 -10.875 1.00 0.00 H new ATOM 692 N SER A 43 -8.909 -2.232 -10.251 1.00 0.00 N ATOM 693 CA SER A 43 -9.535 -3.455 -9.761 1.00 0.00 C ATOM 694 C SER A 43 -8.483 -4.509 -9.432 1.00 0.00 C ATOM 695 O SER A 43 -8.487 -5.091 -8.347 1.00 0.00 O ATOM 696 CB SER A 43 -10.515 -4.002 -10.800 1.00 0.00 C ATOM 697 OG SER A 43 -10.735 -5.390 -10.612 1.00 0.00 O ATOM 0 H SER A 43 -9.046 -2.058 -11.247 1.00 0.00 H new ATOM 0 HA SER A 43 -10.081 -3.215 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.462 -3.467 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.124 -3.825 -11.802 1.00 0.00 H new ATOM 0 HG SER A 43 -11.366 -5.716 -11.287 1.00 0.00 H new ATOM 703 N LEU A 44 -7.582 -4.751 -10.378 1.00 0.00 N ATOM 704 CA LEU A 44 -6.522 -5.736 -10.191 1.00 0.00 C ATOM 705 C LEU A 44 -7.092 -7.064 -9.703 1.00 0.00 C ATOM 706 O LEU A 44 -6.987 -7.401 -8.524 1.00 0.00 O ATOM 707 CB LEU A 44 -5.486 -5.216 -9.192 1.00 0.00 C ATOM 708 CG LEU A 44 -4.275 -4.501 -9.793 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.718 -3.480 -8.813 1.00 0.00 C ATOM 710 CD2 LEU A 44 -3.203 -5.506 -10.186 1.00 0.00 C ATOM 0 H LEU A 44 -7.564 -4.279 -11.282 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.039 -5.901 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.984 -4.531 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.129 -6.057 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.597 -3.974 -10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.857 -2.981 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.486 -2.742 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.412 -3.985 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.349 -4.979 -10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.884 -6.061 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.607 -6.199 -10.924 1.00 0.00 H new ATOM 722 N SER A 45 -7.695 -7.815 -10.619 1.00 0.00 N ATOM 723 CA SER A 45 -8.283 -9.106 -10.283 1.00 0.00 C ATOM 724 C SER A 45 -8.420 -9.981 -11.525 1.00 0.00 C ATOM 725 O SER A 45 -8.795 -9.504 -12.596 1.00 0.00 O ATOM 726 CB SER A 45 -9.653 -8.911 -9.629 1.00 0.00 C ATOM 727 OG SER A 45 -9.582 -7.977 -8.566 1.00 0.00 O ATOM 0 H SER A 45 -7.789 -7.551 -11.600 1.00 0.00 H new ATOM 0 HA SER A 45 -7.619 -9.607 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.369 -8.565 -10.374 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.020 -9.866 -9.254 1.00 0.00 H new ATOM 0 HG SER A 45 -8.671 -7.960 -8.205 1.00 0.00 H new ATOM 733 N SER A 46 -8.113 -11.266 -11.373 1.00 0.00 N ATOM 734 CA SER A 46 -8.198 -12.208 -12.483 1.00 0.00 C ATOM 735 C SER A 46 -9.647 -12.411 -12.913 1.00 0.00 C ATOM 736 O SER A 46 -9.938 -12.570 -14.099 1.00 0.00 O ATOM 737 CB SER A 46 -7.578 -13.550 -12.088 1.00 0.00 C ATOM 738 OG SER A 46 -7.068 -13.507 -10.767 1.00 0.00 O ATOM 0 H SER A 46 -7.803 -11.678 -10.493 1.00 0.00 H new ATOM 0 HA SER A 46 -7.643 -11.793 -13.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.328 -14.338 -12.166 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.777 -13.802 -12.782 1.00 0.00 H new ATOM 0 HG SER A 46 -7.523 -14.180 -10.219 1.00 0.00 H new ATOM 744 N ASP A 47 -10.553 -12.405 -11.942 1.00 0.00 N ATOM 745 CA ASP A 47 -11.973 -12.587 -12.219 1.00 0.00 C ATOM 746 C ASP A 47 -12.409 -11.736 -13.407 1.00 0.00 C ATOM 747 O ASP A 47 -12.553 -10.517 -13.309 1.00 0.00 O ATOM 748 CB ASP A 47 -12.805 -12.229 -10.986 1.00 0.00 C ATOM 749 CG ASP A 47 -12.718 -13.285 -9.902 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.375 -14.441 -10.227 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.995 -12.956 -8.729 1.00 0.00 O ATOM 0 H ASP A 47 -10.329 -12.276 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.138 -13.636 -12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.465 -11.274 -10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.847 -12.099 -11.280 1.00 0.00 H new ATOM 756 N PRO A 48 -12.623 -12.391 -14.558 1.00 0.00 N ATOM 757 CA PRO A 48 -13.045 -11.713 -15.787 1.00 0.00 C ATOM 758 C PRO A 48 -14.476 -11.195 -15.702 1.00 0.00 C ATOM 759 O PRO A 48 -14.937 -10.472 -16.584 1.00 0.00 O ATOM 760 CB PRO A 48 -12.935 -12.808 -16.851 1.00 0.00 C ATOM 761 CG PRO A 48 -13.085 -14.085 -16.098 1.00 0.00 C ATOM 762 CD PRO A 48 -12.471 -13.843 -14.747 1.00 0.00 C ATOM 0 HA PRO A 48 -12.437 -10.833 -15.996 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.711 -12.702 -17.609 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.976 -12.763 -17.367 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.135 -14.363 -16.005 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.583 -14.904 -16.614 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.983 -14.406 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.424 -14.144 -14.722 1.00 0.00 H new ATOM 770 N GLU A 49 -15.174 -11.569 -14.634 1.00 0.00 N ATOM 771 CA GLU A 49 -16.554 -11.142 -14.435 1.00 0.00 C ATOM 772 C GLU A 49 -16.621 -9.651 -14.118 1.00 0.00 C ATOM 773 O GLU A 49 -17.408 -8.913 -14.711 1.00 0.00 O ATOM 774 CB GLU A 49 -17.202 -11.945 -13.306 1.00 0.00 C ATOM 775 CG GLU A 49 -17.541 -13.375 -13.692 1.00 0.00 C ATOM 776 CD GLU A 49 -18.146 -14.161 -12.545 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.351 -13.981 -12.271 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.413 -14.958 -11.922 1.00 0.00 O ATOM 0 H GLU A 49 -14.806 -12.167 -13.894 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.101 -11.324 -15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.529 -11.959 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.113 -11.438 -12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.239 -13.366 -14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.637 -13.878 -14.036 1.00 0.00 H new ATOM 785 N VAL A 50 -15.789 -9.214 -13.177 1.00 0.00 N ATOM 786 CA VAL A 50 -15.753 -7.812 -12.780 1.00 0.00 C ATOM 787 C VAL A 50 -15.232 -6.933 -13.912 1.00 0.00 C ATOM 788 O VAL A 50 -15.658 -5.789 -14.071 1.00 0.00 O ATOM 789 CB VAL A 50 -14.871 -7.603 -11.535 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.571 -8.125 -10.290 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.521 -8.280 -11.720 1.00 0.00 C ATOM 0 H VAL A 50 -15.131 -9.811 -12.676 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.777 -7.524 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.702 -6.534 -11.406 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.932 -7.968 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.511 -7.591 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.772 -9.190 -10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.910 -8.123 -10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.668 -9.349 -11.874 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.016 -7.854 -12.587 1.00 0.00 H new ATOM 801 N LEU A 51 -14.308 -7.476 -14.697 1.00 0.00 N ATOM 802 CA LEU A 51 -13.728 -6.742 -15.816 1.00 0.00 C ATOM 803 C LEU A 51 -14.766 -6.505 -16.908 1.00 0.00 C ATOM 804 O LEU A 51 -14.808 -5.435 -17.517 1.00 0.00 O ATOM 805 CB LEU A 51 -12.534 -7.508 -16.389 1.00 0.00 C ATOM 806 CG LEU A 51 -11.568 -8.109 -15.367 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.504 -8.942 -16.064 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.926 -7.012 -14.530 1.00 0.00 C ATOM 0 H LEU A 51 -13.945 -8.422 -14.579 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.388 -5.774 -15.447 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.913 -8.313 -17.018 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.973 -6.834 -17.037 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.133 -8.762 -14.702 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.826 -9.362 -15.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.980 -9.751 -16.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.942 -8.312 -16.753 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.242 -7.458 -13.808 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.375 -6.333 -15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.701 -6.458 -14.001 1.00 0.00 H new ATOM 820 N LEU A 52 -15.602 -7.508 -17.150 1.00 0.00 N ATOM 821 CA LEU A 52 -16.643 -7.407 -18.168 1.00 0.00 C ATOM 822 C LEU A 52 -17.587 -6.248 -17.868 1.00 0.00 C ATOM 823 O LEU A 52 -18.241 -5.720 -18.767 1.00 0.00 O ATOM 824 CB LEU A 52 -17.432 -8.715 -18.248 1.00 0.00 C ATOM 825 CG LEU A 52 -18.570 -8.751 -19.270 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.016 -8.729 -20.686 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.442 -9.979 -19.055 1.00 0.00 C ATOM 0 H LEU A 52 -15.580 -8.400 -16.656 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.162 -7.220 -19.128 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.737 -9.522 -18.480 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.848 -8.926 -17.263 1.00 0.00 H new ATOM 0 HG LEU A 52 -19.187 -7.864 -19.129 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.840 -8.755 -21.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.435 -7.819 -20.835 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.375 -9.597 -20.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.246 -9.988 -19.791 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.837 -10.879 -19.168 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.868 -9.951 -18.052 1.00 0.00 H new ATOM 839 N GLN A 53 -17.651 -5.856 -16.600 1.00 0.00 N ATOM 840 CA GLN A 53 -18.515 -4.757 -16.183 1.00 0.00 C ATOM 841 C GLN A 53 -17.852 -3.411 -16.455 1.00 0.00 C ATOM 842 O GLN A 53 -18.428 -2.358 -16.177 1.00 0.00 O ATOM 843 CB GLN A 53 -18.852 -4.882 -14.696 1.00 0.00 C ATOM 844 CG GLN A 53 -19.827 -6.006 -14.385 1.00 0.00 C ATOM 845 CD GLN A 53 -20.456 -5.869 -13.013 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.666 -5.674 -12.888 1.00 0.00 O ATOM 847 NE2 GLN A 53 -19.638 -5.972 -11.972 1.00 0.00 N ATOM 0 H GLN A 53 -17.116 -6.282 -15.844 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.436 -4.811 -16.763 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.931 -5.046 -14.136 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -19.274 -3.939 -14.347 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.612 -6.020 -15.141 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.306 -6.962 -14.448 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.642 -6.134 -12.120 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -20.006 -5.889 -11.024 1.00 0.00 H new ATOM 856 N ILE A 54 -16.641 -3.452 -16.999 1.00 0.00 N ATOM 857 CA ILE A 54 -15.902 -2.235 -17.310 1.00 0.00 C ATOM 858 C ILE A 54 -16.148 -1.794 -18.748 1.00 0.00 C ATOM 859 O ILE A 54 -15.963 -2.569 -19.687 1.00 0.00 O ATOM 860 CB ILE A 54 -14.388 -2.426 -17.095 1.00 0.00 C ATOM 861 CG1 ILE A 54 -14.100 -2.797 -15.639 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.635 -1.163 -17.485 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.640 -3.081 -15.366 1.00 0.00 C ATOM 0 H ILE A 54 -16.151 -4.315 -17.234 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.264 -1.464 -16.630 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.045 -3.241 -17.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.431 -1.984 -14.993 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.689 -3.675 -15.373 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.567 -1.313 -17.328 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.819 -0.939 -18.536 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.979 -0.330 -16.871 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.510 -3.337 -14.315 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.309 -3.914 -15.986 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.047 -2.197 -15.600 1.00 0.00 H new ATOM 875 N ASP A 55 -16.566 -0.544 -18.914 1.00 0.00 N ATOM 876 CA ASP A 55 -16.835 0.003 -20.239 1.00 0.00 C ATOM 877 C ASP A 55 -15.647 -0.218 -21.170 1.00 0.00 C ATOM 878 O ASP A 55 -14.498 0.007 -20.792 1.00 0.00 O ATOM 879 CB ASP A 55 -17.153 1.496 -20.144 1.00 0.00 C ATOM 880 CG ASP A 55 -18.029 1.976 -21.284 1.00 0.00 C ATOM 881 OD1 ASP A 55 -17.625 1.807 -22.453 1.00 0.00 O ATOM 882 OD2 ASP A 55 -19.118 2.521 -21.007 1.00 0.00 O ATOM 0 H ASP A 55 -16.726 0.110 -18.148 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.699 -0.519 -20.651 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.652 1.698 -19.196 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.222 2.063 -20.142 1.00 0.00 H new ATOM 887 N GLY A 56 -15.932 -0.662 -22.391 1.00 0.00 N ATOM 888 CA GLY A 56 -14.877 -0.908 -23.356 1.00 0.00 C ATOM 889 C GLY A 56 -14.094 -2.170 -23.051 1.00 0.00 C ATOM 890 O GLY A 56 -12.863 -2.161 -23.050 1.00 0.00 O ATOM 0 H GLY A 56 -16.875 -0.856 -22.728 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.312 -0.986 -24.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.197 -0.057 -23.371 1.00 0.00 H new ATOM 894 N VAL A 57 -14.810 -3.259 -22.790 1.00 0.00 N ATOM 895 CA VAL A 57 -14.175 -4.535 -22.481 1.00 0.00 C ATOM 896 C VAL A 57 -15.044 -5.704 -22.930 1.00 0.00 C ATOM 897 O VAL A 57 -15.967 -6.114 -22.225 1.00 0.00 O ATOM 898 CB VAL A 57 -13.890 -4.670 -20.974 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.262 -6.021 -20.668 1.00 0.00 C ATOM 900 CG2 VAL A 57 -12.995 -3.536 -20.497 1.00 0.00 C ATOM 0 H VAL A 57 -15.830 -3.283 -22.786 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.231 -4.558 -23.025 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.836 -4.606 -20.436 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.068 -6.098 -19.598 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.943 -6.816 -20.971 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.324 -6.119 -21.215 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.804 -3.648 -19.430 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.050 -3.565 -21.040 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.489 -2.581 -20.679 1.00 0.00 H new ATOM 910 N THR A 58 -14.743 -6.240 -24.109 1.00 0.00 N ATOM 911 CA THR A 58 -15.497 -7.362 -24.653 1.00 0.00 C ATOM 912 C THR A 58 -14.760 -8.679 -24.431 1.00 0.00 C ATOM 913 O THR A 58 -13.560 -8.690 -24.161 1.00 0.00 O ATOM 914 CB THR A 58 -15.762 -7.183 -26.160 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.369 -8.365 -26.694 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.469 -6.889 -26.906 1.00 0.00 C ATOM 0 H THR A 58 -13.982 -5.915 -24.705 1.00 0.00 H new ATOM 0 HA THR A 58 -16.450 -7.388 -24.125 1.00 0.00 H new ATOM 0 HB THR A 58 -16.438 -6.338 -26.290 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.536 -8.243 -27.652 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.681 -6.767 -27.968 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.025 -5.973 -26.517 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.773 -7.717 -26.768 1.00 0.00 H new ATOM 924 N GLU A 59 -15.488 -9.785 -24.549 1.00 0.00 N ATOM 925 CA GLU A 59 -14.901 -11.107 -24.360 1.00 0.00 C ATOM 926 C GLU A 59 -13.692 -11.301 -25.270 1.00 0.00 C ATOM 927 O GLU A 59 -12.701 -11.918 -24.880 1.00 0.00 O ATOM 928 CB GLU A 59 -15.941 -12.195 -24.637 1.00 0.00 C ATOM 929 CG GLU A 59 -15.434 -13.603 -24.374 1.00 0.00 C ATOM 930 CD GLU A 59 -16.467 -14.665 -24.698 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.613 -14.295 -25.030 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.130 -15.865 -24.618 1.00 0.00 O ATOM 0 H GLU A 59 -16.483 -9.792 -24.774 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.570 -11.185 -23.324 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.819 -12.013 -24.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.263 -12.122 -25.676 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.538 -13.780 -24.969 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.144 -13.691 -23.327 1.00 0.00 H new ATOM 939 N ASP A 60 -13.782 -10.769 -26.485 1.00 0.00 N ATOM 940 CA ASP A 60 -12.696 -10.882 -27.451 1.00 0.00 C ATOM 941 C ASP A 60 -11.464 -10.117 -26.976 1.00 0.00 C ATOM 942 O ASP A 60 -10.344 -10.624 -27.036 1.00 0.00 O ATOM 943 CB ASP A 60 -13.142 -10.358 -28.816 1.00 0.00 C ATOM 944 CG ASP A 60 -14.385 -11.059 -29.328 1.00 0.00 C ATOM 945 OD1 ASP A 60 -14.257 -12.183 -29.858 1.00 0.00 O ATOM 946 OD2 ASP A 60 -15.486 -10.485 -29.197 1.00 0.00 O ATOM 0 H ASP A 60 -14.596 -10.256 -26.823 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.434 -11.936 -27.544 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.335 -9.288 -28.745 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.333 -10.489 -29.534 1.00 0.00 H new ATOM 951 N LYS A 61 -11.679 -8.893 -26.506 1.00 0.00 N ATOM 952 CA LYS A 61 -10.588 -8.057 -26.020 1.00 0.00 C ATOM 953 C LYS A 61 -9.859 -8.731 -24.863 1.00 0.00 C ATOM 954 O LYS A 61 -8.632 -8.845 -24.871 1.00 0.00 O ATOM 955 CB LYS A 61 -11.123 -6.694 -25.575 1.00 0.00 C ATOM 956 CG LYS A 61 -11.400 -5.743 -26.727 1.00 0.00 C ATOM 957 CD LYS A 61 -12.149 -4.506 -26.261 1.00 0.00 C ATOM 958 CE LYS A 61 -12.128 -3.411 -27.316 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.225 -2.054 -26.710 1.00 0.00 N ATOM 0 H LYS A 61 -12.600 -8.458 -26.451 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.881 -7.915 -26.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.042 -6.841 -25.008 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.402 -6.233 -24.900 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.459 -5.447 -27.190 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.983 -6.256 -27.491 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.181 -4.770 -26.030 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.701 -4.134 -25.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.209 -3.484 -27.897 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.956 -3.559 -28.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.608 -1.388 -27.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.855 -2.087 -25.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.280 -1.738 -26.413 1.00 0.00 H new ATOM 973 N LEU A 62 -10.620 -9.179 -23.871 1.00 0.00 N ATOM 974 CA LEU A 62 -10.046 -9.844 -22.706 1.00 0.00 C ATOM 975 C LEU A 62 -9.484 -11.212 -23.083 1.00 0.00 C ATOM 976 O LEU A 62 -8.579 -11.724 -22.425 1.00 0.00 O ATOM 977 CB LEU A 62 -11.101 -9.998 -21.610 1.00 0.00 C ATOM 978 CG LEU A 62 -12.330 -10.832 -21.974 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.033 -12.316 -21.819 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.520 -10.432 -21.114 1.00 0.00 C ATOM 0 H LEU A 62 -11.636 -9.094 -23.850 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.230 -9.226 -22.331 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.627 -10.448 -20.738 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.436 -9.004 -21.314 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.580 -10.639 -23.017 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.919 -12.894 -22.082 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.210 -12.593 -22.478 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.757 -12.526 -20.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.385 -11.036 -21.387 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.281 -10.595 -20.063 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.747 -9.378 -21.275 1.00 0.00 H new ATOM 992 N GLU A 63 -10.026 -11.796 -24.147 1.00 0.00 N ATOM 993 CA GLU A 63 -9.577 -13.103 -24.611 1.00 0.00 C ATOM 994 C GLU A 63 -8.214 -13.002 -25.288 1.00 0.00 C ATOM 995 O GLU A 63 -7.407 -13.930 -25.228 1.00 0.00 O ATOM 996 CB GLU A 63 -10.598 -13.702 -25.581 1.00 0.00 C ATOM 997 CG GLU A 63 -10.134 -14.996 -26.230 1.00 0.00 C ATOM 998 CD GLU A 63 -11.254 -15.723 -26.948 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.889 -15.108 -27.831 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.497 -16.905 -26.627 1.00 0.00 O ATOM 0 H GLU A 63 -10.776 -11.385 -24.703 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.484 -13.756 -23.743 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.530 -13.887 -25.046 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.818 -12.973 -26.361 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.335 -14.777 -26.939 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.712 -15.650 -25.467 1.00 0.00 H new ATOM 1007 N LYS A 64 -7.963 -11.868 -25.934 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.698 -11.642 -26.622 1.00 0.00 C ATOM 1009 C LYS A 64 -5.664 -11.039 -25.677 1.00 0.00 C ATOM 1010 O LYS A 64 -4.550 -11.548 -25.554 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.906 -10.718 -27.825 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.308 -11.451 -29.093 1.00 0.00 C ATOM 1013 CD LYS A 64 -8.625 -10.929 -29.644 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.725 -11.146 -31.146 1.00 0.00 C ATOM 1015 NZ LYS A 64 -10.054 -11.687 -31.542 1.00 0.00 N ATOM 0 H LYS A 64 -8.620 -11.090 -25.995 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.326 -12.605 -26.971 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.674 -9.984 -27.580 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.985 -10.165 -28.011 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.527 -11.336 -29.844 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.396 -12.517 -28.886 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.454 -11.432 -29.146 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.718 -9.866 -29.422 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.549 -10.202 -31.662 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.943 -11.834 -31.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.081 -11.821 -32.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.212 -12.600 -31.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.799 -11.019 -31.260 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.040 -9.953 -25.011 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.145 -9.281 -24.077 1.00 0.00 C ATOM 1031 C TYR A 65 -5.455 -9.684 -22.639 1.00 0.00 C ATOM 1032 O TYR A 65 -4.563 -10.072 -21.885 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.261 -7.763 -24.229 1.00 0.00 C ATOM 1034 CG TYR A 65 -5.845 -7.331 -25.556 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.201 -7.629 -26.750 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.039 -6.623 -25.614 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -5.730 -7.236 -27.964 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.576 -6.226 -26.824 1.00 0.00 C ATOM 1039 CZ TYR A 65 -6.917 -6.535 -27.996 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.448 -6.141 -29.203 1.00 0.00 O ATOM 0 H TYR A 65 -6.959 -9.519 -25.101 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.125 -9.586 -24.309 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.882 -7.372 -23.423 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.273 -7.318 -24.114 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.271 -8.177 -26.729 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.556 -6.379 -24.698 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.217 -7.477 -28.883 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.506 -5.677 -26.852 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.287 -5.659 -29.049 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.728 -9.589 -22.265 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.134 -9.948 -20.919 1.00 0.00 C ATOM 1052 C GLY A 66 -6.451 -11.206 -20.423 1.00 0.00 C ATOM 1053 O GLY A 66 -6.153 -11.331 -19.235 1.00 0.00 O ATOM 0 H GLY A 66 -7.485 -9.270 -22.870 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.907 -9.124 -20.242 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.214 -10.091 -20.895 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.204 -12.142 -21.333 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.551 -13.397 -20.981 1.00 0.00 C ATOM 1059 C ALA A 67 -4.307 -13.150 -20.135 1.00 0.00 C ATOM 1060 O ALA A 67 -4.188 -13.667 -19.025 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.191 -14.175 -22.238 1.00 0.00 C ATOM 0 H ALA A 67 -6.446 -12.055 -22.320 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.250 -13.988 -20.389 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.704 -15.110 -21.960 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.097 -14.392 -22.804 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.513 -13.581 -22.852 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.382 -12.357 -20.668 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.146 -12.044 -19.960 1.00 0.00 C ATOM 1069 C GLU A 68 -2.439 -11.349 -18.634 1.00 0.00 C ATOM 1070 O GLU A 68 -1.780 -11.607 -17.626 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.247 -11.158 -20.826 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.016 -11.706 -22.224 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.760 -13.201 -22.229 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.145 -13.650 -21.495 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.465 -13.921 -22.967 1.00 0.00 O ATOM 0 H GLU A 68 -3.465 -11.920 -21.586 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.629 -12.981 -19.752 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.694 -10.167 -20.903 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.284 -11.036 -20.329 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.885 -11.488 -22.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.166 -11.194 -22.675 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.432 -10.466 -18.642 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.814 -9.734 -17.441 1.00 0.00 C ATOM 1084 C VAL A 69 -4.294 -10.682 -16.348 1.00 0.00 C ATOM 1085 O VAL A 69 -3.981 -10.499 -15.171 1.00 0.00 O ATOM 1086 CB VAL A 69 -4.924 -8.707 -17.738 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.146 -7.798 -16.539 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.579 -7.895 -18.977 1.00 0.00 C ATOM 0 H VAL A 69 -3.987 -10.240 -19.468 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.924 -9.207 -17.096 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.852 -9.246 -17.931 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.933 -7.080 -16.768 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.441 -8.397 -15.678 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.223 -7.265 -16.311 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.373 -7.175 -19.173 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.640 -7.365 -18.815 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.476 -8.563 -19.832 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.055 -11.696 -16.745 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.577 -12.675 -15.799 1.00 0.00 C ATOM 1100 C ILE A 70 -4.462 -13.560 -15.253 1.00 0.00 C ATOM 1101 O ILE A 70 -4.446 -13.896 -14.069 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.653 -13.566 -16.447 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.872 -12.728 -16.839 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.056 -14.685 -15.499 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.996 -13.540 -17.442 1.00 0.00 C ATOM 0 H ILE A 70 -5.324 -11.861 -17.715 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.027 -12.114 -14.980 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.237 -14.013 -17.350 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.244 -12.208 -15.956 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.563 -11.964 -17.553 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.817 -15.306 -15.972 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.184 -15.295 -15.265 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.456 -14.257 -14.580 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.826 -12.880 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.641 -14.039 -18.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.332 -14.286 -16.722 1.00 0.00 H new ATOM 1117 N SER A 71 -3.530 -13.935 -16.124 1.00 0.00 N ATOM 1118 CA SER A 71 -2.412 -14.783 -15.730 1.00 0.00 C ATOM 1119 C SER A 71 -1.562 -14.100 -14.662 1.00 0.00 C ATOM 1120 O SER A 71 -1.261 -14.687 -13.623 1.00 0.00 O ATOM 1121 CB SER A 71 -1.548 -15.122 -16.946 1.00 0.00 C ATOM 1122 OG SER A 71 -0.553 -16.075 -16.615 1.00 0.00 O ATOM 0 H SER A 71 -3.528 -13.664 -17.107 1.00 0.00 H new ATOM 0 HA SER A 71 -2.817 -15.705 -15.313 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.177 -15.512 -17.746 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.076 -14.215 -17.325 1.00 0.00 H new ATOM 0 HG SER A 71 -0.015 -16.276 -17.409 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.179 -12.855 -14.927 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.365 -12.090 -13.990 1.00 0.00 C ATOM 1130 C VAL A 72 -1.130 -11.806 -12.702 1.00 0.00 C ATOM 1131 O VAL A 72 -0.578 -11.901 -11.605 1.00 0.00 O ATOM 1132 CB VAL A 72 0.095 -10.755 -14.606 1.00 0.00 C ATOM 1133 CG1 VAL A 72 1.036 -11.003 -15.775 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.105 -9.928 -15.042 1.00 0.00 C ATOM 0 H VAL A 72 -1.419 -12.355 -15.783 1.00 0.00 H new ATOM 0 HA VAL A 72 0.511 -12.698 -13.762 1.00 0.00 H new ATOM 0 HB VAL A 72 0.638 -10.192 -13.847 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.351 -10.049 -16.198 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.911 -11.552 -15.427 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.522 -11.586 -16.539 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.761 -8.988 -15.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.678 -10.482 -15.786 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.737 -9.720 -14.178 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.404 -11.457 -12.842 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.247 -11.159 -11.690 1.00 0.00 C ATOM 1146 C LEU A 73 -3.458 -12.403 -10.833 1.00 0.00 C ATOM 1147 O LEU A 73 -3.645 -12.308 -9.620 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.598 -10.607 -12.150 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.594 -9.169 -12.670 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.894 -8.861 -13.397 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.376 -8.189 -11.526 1.00 0.00 C ATOM 0 H LEU A 73 -2.876 -11.373 -13.742 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.741 -10.406 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.984 -11.255 -12.937 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.296 -10.668 -11.315 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.771 -9.061 -13.377 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.873 -7.833 -13.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.009 -9.542 -14.241 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.733 -8.987 -12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.376 -7.171 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.177 -8.299 -10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.418 -8.395 -11.048 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.425 -13.568 -11.472 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.611 -14.831 -10.768 1.00 0.00 C ATOM 1165 C GLN A 74 -2.369 -15.191 -9.959 1.00 0.00 C ATOM 1166 O GLN A 74 -2.454 -15.479 -8.765 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.931 -15.950 -11.760 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.386 -16.388 -11.735 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.865 -16.743 -10.341 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -5.063 -16.993 -9.442 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -7.180 -16.765 -10.154 1.00 0.00 N ATOM 0 H GLN A 74 -3.271 -13.663 -12.476 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.449 -14.715 -10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.678 -15.615 -12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.298 -16.810 -11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.009 -15.589 -12.136 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.513 -17.250 -12.389 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.809 -16.551 -10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.561 -16.996 -9.236 1.00 0.00 H new ATOM 1180 N LYS A 75 -1.215 -15.174 -10.618 1.00 0.00 N ATOM 1181 CA LYS A 75 0.046 -15.498 -9.961 1.00 0.00 C ATOM 1182 C LYS A 75 0.312 -14.550 -8.797 1.00 0.00 C ATOM 1183 O LYS A 75 0.764 -14.971 -7.732 1.00 0.00 O ATOM 1184 CB LYS A 75 1.200 -15.428 -10.964 1.00 0.00 C ATOM 1185 CG LYS A 75 1.294 -14.097 -11.690 1.00 0.00 C ATOM 1186 CD LYS A 75 2.418 -14.098 -12.713 1.00 0.00 C ATOM 1187 CE LYS A 75 3.182 -12.783 -12.703 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.518 -12.912 -13.349 1.00 0.00 N ATOM 0 H LYS A 75 -1.127 -14.939 -11.607 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.027 -16.513 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.138 -15.614 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.082 -16.225 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.348 -13.886 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.459 -13.298 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.103 -14.919 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.007 -14.273 -13.707 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.600 -12.021 -13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.307 -12.444 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.007 -11.994 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.083 -13.621 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.398 -13.211 -14.338 1.00 0.00 H new ATOM 1202 N TYR A 76 0.029 -13.269 -9.006 1.00 0.00 N ATOM 1203 CA TYR A 76 0.239 -12.261 -7.974 1.00 0.00 C ATOM 1204 C TYR A 76 -0.746 -12.446 -6.823 1.00 0.00 C ATOM 1205 O TYR A 76 -0.459 -12.086 -5.682 1.00 0.00 O ATOM 1206 CB TYR A 76 0.093 -10.858 -8.564 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.877 -9.980 -7.806 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -0.475 -9.289 -6.669 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -2.194 -9.842 -8.225 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -1.357 -8.486 -5.972 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -3.083 -9.040 -7.535 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.660 -8.364 -6.410 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.542 -7.566 -5.719 1.00 0.00 O ATOM 0 H TYR A 76 -0.347 -12.904 -9.881 1.00 0.00 H new ATOM 0 HA TYR A 76 1.250 -12.381 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.071 -10.376 -8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.238 -10.941 -9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.544 -9.381 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.529 -10.371 -9.105 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.029 -7.957 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.104 -8.943 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.417 -7.588 -6.159 1.00 0.00 H new ATOM 1223 N SER A 77 -1.908 -13.012 -7.133 1.00 0.00 N ATOM 1224 CA SER A 77 -2.939 -13.243 -6.127 1.00 0.00 C ATOM 1225 C SER A 77 -2.420 -14.151 -5.017 1.00 0.00 C ATOM 1226 O SER A 77 -2.888 -14.090 -3.881 1.00 0.00 O ATOM 1227 CB SER A 77 -4.180 -13.863 -6.771 1.00 0.00 C ATOM 1228 OG SER A 77 -4.283 -15.241 -6.456 1.00 0.00 O ATOM 0 H SER A 77 -2.159 -13.319 -8.073 1.00 0.00 H new ATOM 0 HA SER A 77 -3.208 -12.281 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.072 -13.340 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.134 -13.736 -7.853 1.00 0.00 H new ATOM 0 HG SER A 77 -3.740 -15.762 -7.084 1.00 0.00 H new