USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 49 GLN : amide:sc= 0.725 K(o=1.7,f=0.67) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.943 K(o=1.7,f=0.67) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 1.18 K(o=1.3,f=-3.4!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.104 K(o=1.3,f=-0.9) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.312 K(o=0.66,f=-1.7) USER MOD Set 3.2: A 20 SER OG : rot -137:sc= 0.344 USER MOD Set 4.1: A 5 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0) USER MOD Set 4.2: A 7 TYR OH : rot 30:sc= 1.03 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.233 USER MOD Single : A 26 HIS : no HD1:sc= 0.127 K(o=0.13,f=-2.2!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 101:sc= 1.02 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 131:sc= 2.13 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -84:sc= 2.02 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -0.0013 (180deg=-0.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -108:sc= 0.896 USER MOD Single : A 80 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.925 -9.509 -12.130 1.00 0.00 N ATOM 66 CA LYS A 5 1.366 -8.923 -10.883 1.00 0.00 C ATOM 67 C LYS A 5 0.292 -9.171 -9.826 1.00 0.00 C ATOM 68 O LYS A 5 -0.179 -8.228 -9.211 1.00 0.00 O ATOM 69 CB LYS A 5 1.666 -7.451 -11.172 1.00 0.00 C ATOM 70 CG LYS A 5 2.969 -7.320 -11.987 1.00 0.00 C ATOM 71 CD LYS A 5 4.128 -6.899 -11.070 1.00 0.00 C ATOM 72 CE LYS A 5 5.462 -7.591 -11.347 1.00 0.00 C ATOM 73 NZ LYS A 5 6.408 -7.306 -10.248 1.00 0.00 N ATOM 0 HA LYS A 5 2.277 -9.366 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.838 -7.006 -11.723 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.758 -6.901 -10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.203 -8.270 -12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.838 -6.584 -12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.270 -5.822 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.842 -7.096 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.312 -8.667 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.874 -7.242 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.365 -7.601 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.406 -6.286 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.120 -7.830 -9.397 1.00 0.00 H new ATOM 87 N TYR A 6 -0.104 -10.430 -9.609 1.00 0.00 N ATOM 88 CA TYR A 6 -1.045 -10.794 -8.551 1.00 0.00 C ATOM 89 C TYR A 6 -0.270 -11.334 -7.348 1.00 0.00 C ATOM 90 O TYR A 6 0.555 -12.228 -7.522 1.00 0.00 O ATOM 91 CB TYR A 6 -2.078 -11.820 -9.052 1.00 0.00 C ATOM 92 CG TYR A 6 -3.372 -11.221 -9.577 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.146 -10.400 -8.737 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.888 -11.603 -10.830 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.396 -9.922 -9.163 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.133 -11.111 -11.263 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.891 -10.276 -10.424 1.00 0.00 C ATOM 98 OH TYR A 6 -7.166 -9.935 -10.764 1.00 0.00 O ATOM 0 H TYR A 6 0.220 -11.223 -10.163 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.598 -9.905 -8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.623 -12.415 -9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.315 -12.503 -8.236 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.776 -10.135 -7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.326 -12.276 -11.461 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.976 -9.280 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.507 -11.375 -12.241 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.358 -10.251 -11.671 1.00 0.00 H new ATOM 108 N TYR A 7 -0.528 -10.805 -6.144 1.00 0.00 N ATOM 109 CA TYR A 7 0.160 -11.225 -4.923 1.00 0.00 C ATOM 110 C TYR A 7 -0.840 -11.598 -3.817 1.00 0.00 C ATOM 111 O TYR A 7 -1.907 -10.993 -3.720 1.00 0.00 O ATOM 112 CB TYR A 7 1.068 -10.084 -4.469 1.00 0.00 C ATOM 113 CG TYR A 7 2.171 -9.696 -5.441 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.266 -10.559 -5.628 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.147 -8.453 -6.106 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.314 -10.197 -6.493 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.200 -8.089 -6.970 1.00 0.00 C ATOM 118 CZ TYR A 7 4.276 -8.969 -7.177 1.00 0.00 C ATOM 119 OH TYR A 7 5.293 -8.647 -8.042 1.00 0.00 O ATOM 0 H TYR A 7 -1.222 -10.073 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 7 0.753 -12.116 -5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.451 -9.206 -4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.526 -10.364 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.302 -11.503 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.319 -7.777 -5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.151 -10.865 -6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.180 -7.133 -7.473 1.00 0.00 H new ATOM 0 HH TYR A 7 5.664 -9.467 -8.431 1.00 0.00 H new ATOM 129 N THR A 8 -0.506 -12.603 -2.994 1.00 0.00 N ATOM 130 CA THR A 8 -1.383 -13.135 -1.947 1.00 0.00 C ATOM 131 C THR A 8 -1.179 -12.411 -0.616 1.00 0.00 C ATOM 132 O THR A 8 -0.165 -11.749 -0.424 1.00 0.00 O ATOM 133 CB THR A 8 -1.142 -14.643 -1.755 1.00 0.00 C ATOM 134 OG1 THR A 8 0.060 -14.874 -1.041 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.098 -15.408 -3.082 1.00 0.00 C ATOM 0 H THR A 8 0.397 -13.075 -3.040 1.00 0.00 H new ATOM 0 HA THR A 8 -2.410 -12.969 -2.272 1.00 0.00 H new ATOM 0 HB THR A 8 -1.990 -15.017 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.193 -15.838 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.925 -16.466 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.047 -15.285 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.290 -15.017 -3.701 1.00 0.00 H new ATOM 143 N LEU A 9 -2.107 -12.572 0.332 1.00 0.00 N ATOM 144 CA LEU A 9 -2.011 -11.925 1.627 1.00 0.00 C ATOM 145 C LEU A 9 -0.725 -12.352 2.323 1.00 0.00 C ATOM 146 O LEU A 9 0.072 -11.495 2.687 1.00 0.00 O ATOM 147 CB LEU A 9 -3.229 -12.253 2.500 1.00 0.00 C ATOM 148 CG LEU A 9 -4.558 -11.613 2.070 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.481 -10.083 1.965 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.102 -12.224 0.778 1.00 0.00 C ATOM 0 H LEU A 9 -2.938 -13.152 0.217 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.993 -10.846 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.358 -13.335 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.013 -11.942 3.522 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.264 -11.840 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.450 -9.690 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.211 -9.665 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.727 -9.806 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.042 -11.740 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.380 -12.078 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.272 -13.291 0.923 1.00 0.00 H new ATOM 162 N GLU A 10 -0.512 -13.662 2.496 1.00 0.00 N ATOM 163 CA GLU A 10 0.674 -14.169 3.172 1.00 0.00 C ATOM 164 C GLU A 10 1.949 -13.593 2.554 1.00 0.00 C ATOM 165 O GLU A 10 2.820 -13.112 3.276 1.00 0.00 O ATOM 166 CB GLU A 10 0.712 -15.707 3.177 1.00 0.00 C ATOM 167 CG GLU A 10 0.667 -16.237 4.616 1.00 0.00 C ATOM 168 CD GLU A 10 1.219 -17.650 4.694 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.468 -17.741 4.783 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.395 -18.588 4.656 1.00 0.00 O ATOM 0 H GLU A 10 -1.152 -14.388 2.173 1.00 0.00 H new ATOM 0 HA GLU A 10 0.621 -13.839 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.133 -16.100 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.618 -16.057 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.245 -15.581 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.360 -16.224 4.980 1.00 0.00 H new ATOM 177 N GLU A 11 2.045 -13.632 1.221 1.00 0.00 N ATOM 178 CA GLU A 11 3.179 -13.073 0.498 1.00 0.00 C ATOM 179 C GLU A 11 3.341 -11.593 0.862 1.00 0.00 C ATOM 180 O GLU A 11 4.375 -11.153 1.358 1.00 0.00 O ATOM 181 CB GLU A 11 2.961 -13.293 -1.009 1.00 0.00 C ATOM 182 CG GLU A 11 4.155 -12.856 -1.863 1.00 0.00 C ATOM 183 CD GLU A 11 5.398 -13.670 -1.527 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.478 -14.805 -2.043 1.00 0.00 O ATOM 185 OE2 GLU A 11 6.215 -13.162 -0.733 1.00 0.00 O ATOM 0 H GLU A 11 1.337 -14.052 0.619 1.00 0.00 H new ATOM 0 HA GLU A 11 4.107 -13.573 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.761 -14.349 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.075 -12.742 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.913 -12.975 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.355 -11.797 -1.699 1.00 0.00 H new ATOM 192 N ILE A 12 2.280 -10.812 0.673 1.00 0.00 N ATOM 193 CA ILE A 12 2.294 -9.391 0.974 1.00 0.00 C ATOM 194 C ILE A 12 2.617 -9.128 2.454 1.00 0.00 C ATOM 195 O ILE A 12 3.225 -8.111 2.786 1.00 0.00 O ATOM 196 CB ILE A 12 0.967 -8.769 0.505 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.768 -8.898 -1.019 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.905 -7.293 0.889 1.00 0.00 C ATOM 199 CD1 ILE A 12 1.716 -8.009 -1.809 1.00 0.00 C ATOM 0 H ILE A 12 1.390 -11.150 0.307 1.00 0.00 H new ATOM 0 HA ILE A 12 3.099 -8.901 0.426 1.00 0.00 H new ATOM 0 HB ILE A 12 0.169 -9.321 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.918 -9.936 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.261 -8.640 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.040 -6.868 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.979 -7.195 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.732 -6.760 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.533 -8.139 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.549 -6.967 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.746 -8.283 -1.582 1.00 0.00 H new ATOM 211 N GLN A 13 2.278 -10.061 3.346 1.00 0.00 N ATOM 212 CA GLN A 13 2.566 -9.974 4.762 1.00 0.00 C ATOM 213 C GLN A 13 4.059 -10.165 5.071 1.00 0.00 C ATOM 214 O GLN A 13 4.446 -9.992 6.226 1.00 0.00 O ATOM 215 CB GLN A 13 1.708 -10.998 5.529 1.00 0.00 C ATOM 216 CG GLN A 13 0.670 -10.355 6.461 1.00 0.00 C ATOM 217 CD GLN A 13 0.471 -11.180 7.726 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.283 -12.145 7.746 1.00 0.00 O ATOM 219 NE2 GLN A 13 1.159 -10.804 8.801 1.00 0.00 N ATOM 0 H GLN A 13 1.784 -10.915 3.088 1.00 0.00 H new ATOM 0 HA GLN A 13 2.310 -8.967 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.193 -11.638 4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.363 -11.641 6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.993 -9.349 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.280 -10.256 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.779 -9.996 8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.066 -11.324 9.673 1.00 0.00 H new ATOM 228 N LYS A 14 4.906 -10.501 4.091 1.00 0.00 N ATOM 229 CA LYS A 14 6.352 -10.492 4.288 1.00 0.00 C ATOM 230 C LYS A 14 6.878 -9.057 4.129 1.00 0.00 C ATOM 231 O LYS A 14 7.698 -8.606 4.927 1.00 0.00 O ATOM 232 CB LYS A 14 7.049 -11.469 3.323 1.00 0.00 C ATOM 233 CG LYS A 14 7.265 -12.889 3.876 1.00 0.00 C ATOM 234 CD LYS A 14 5.987 -13.669 4.229 1.00 0.00 C ATOM 235 CE LYS A 14 6.313 -15.173 4.362 1.00 0.00 C ATOM 236 NZ LYS A 14 5.435 -15.900 5.312 1.00 0.00 N ATOM 0 H LYS A 14 4.611 -10.782 3.156 1.00 0.00 H new ATOM 0 HA LYS A 14 6.581 -10.834 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.458 -11.537 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.017 -11.053 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.828 -13.464 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.885 -12.821 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.567 -13.294 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.233 -13.518 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.233 -15.640 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.349 -15.283 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.715 -16.901 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.527 -15.482 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.447 -15.828 4.996 1.00 0.00 H new ATOM 250 N HIS A 15 6.408 -8.325 3.113 1.00 0.00 N ATOM 251 CA HIS A 15 6.907 -6.993 2.764 1.00 0.00 C ATOM 252 C HIS A 15 6.353 -5.912 3.701 1.00 0.00 C ATOM 253 O HIS A 15 5.614 -5.008 3.297 1.00 0.00 O ATOM 254 CB HIS A 15 6.581 -6.699 1.299 1.00 0.00 C ATOM 255 CG HIS A 15 7.417 -7.498 0.338 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.574 -7.062 -0.272 1.00 0.00 N ATOM 257 CD2 HIS A 15 7.194 -8.794 -0.043 1.00 0.00 C ATOM 258 CE1 HIS A 15 9.029 -8.081 -1.022 1.00 0.00 C ATOM 259 NE2 HIS A 15 8.228 -9.155 -0.914 1.00 0.00 N ATOM 0 H HIS A 15 5.658 -8.648 2.501 1.00 0.00 H new ATOM 0 HA HIS A 15 7.989 -6.978 2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.527 -6.911 1.118 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.731 -5.637 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.373 -9.421 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.920 -8.042 -1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.350 -10.056 -1.376 1.00 0.00 H new ATOM 267 N LYS A 16 6.731 -6.014 4.975 1.00 0.00 N ATOM 268 CA LYS A 16 6.293 -5.115 6.029 1.00 0.00 C ATOM 269 C LYS A 16 7.260 -5.163 7.211 1.00 0.00 C ATOM 270 O LYS A 16 6.840 -5.112 8.365 1.00 0.00 O ATOM 271 CB LYS A 16 4.861 -5.477 6.440 1.00 0.00 C ATOM 272 CG LYS A 16 4.645 -6.993 6.581 1.00 0.00 C ATOM 273 CD LYS A 16 3.599 -7.294 7.660 1.00 0.00 C ATOM 274 CE LYS A 16 4.301 -7.346 9.026 1.00 0.00 C ATOM 275 NZ LYS A 16 3.356 -7.272 10.154 1.00 0.00 N ATOM 0 H LYS A 16 7.365 -6.742 5.305 1.00 0.00 H new ATOM 0 HA LYS A 16 6.293 -4.088 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.627 -4.992 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.165 -5.083 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.321 -7.409 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.588 -7.477 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.826 -6.526 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.105 -8.243 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.876 -8.269 9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.010 -6.522 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.882 -7.311 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.824 -6.380 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.694 -8.073 10.106 1.00 0.00 H new ATOM 334 N SER A 20 11.288 -2.368 3.382 1.00 0.00 N ATOM 335 CA SER A 20 10.354 -2.695 2.305 1.00 0.00 C ATOM 336 C SER A 20 8.920 -2.707 2.847 1.00 0.00 C ATOM 337 O SER A 20 8.448 -3.732 3.336 1.00 0.00 O ATOM 338 CB SER A 20 10.735 -4.032 1.644 1.00 0.00 C ATOM 339 OG SER A 20 9.902 -4.342 0.535 1.00 0.00 O ATOM 0 HA SER A 20 10.412 -1.930 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.773 -3.989 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.667 -4.832 2.381 1.00 0.00 H new ATOM 0 HG SER A 20 9.652 -5.289 0.568 1.00 0.00 H new ATOM 345 N THR A 21 8.250 -1.557 2.784 1.00 0.00 N ATOM 346 CA THR A 21 6.906 -1.337 3.275 1.00 0.00 C ATOM 347 C THR A 21 5.928 -1.295 2.106 1.00 0.00 C ATOM 348 O THR A 21 5.889 -0.329 1.341 1.00 0.00 O ATOM 349 CB THR A 21 6.921 -0.041 4.087 1.00 0.00 C ATOM 350 OG1 THR A 21 7.609 -0.311 5.289 1.00 0.00 O ATOM 351 CG2 THR A 21 5.516 0.478 4.387 1.00 0.00 C ATOM 0 H THR A 21 8.656 -0.719 2.368 1.00 0.00 H new ATOM 0 HA THR A 21 6.573 -2.149 3.921 1.00 0.00 H new ATOM 0 HB THR A 21 7.415 0.740 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.473 0.151 5.282 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.584 1.399 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.993 0.675 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.966 -0.270 4.959 1.00 0.00 H new ATOM 359 N TRP A 22 5.131 -2.357 1.984 1.00 0.00 N ATOM 360 CA TRP A 22 4.048 -2.459 1.022 1.00 0.00 C ATOM 361 C TRP A 22 2.709 -2.251 1.727 1.00 0.00 C ATOM 362 O TRP A 22 2.631 -2.383 2.948 1.00 0.00 O ATOM 363 CB TRP A 22 4.116 -3.837 0.385 1.00 0.00 C ATOM 364 CG TRP A 22 5.249 -4.070 -0.569 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.362 -3.324 -0.754 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.300 -5.096 -1.588 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.060 -3.803 -1.843 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.448 -4.901 -2.401 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.418 -6.118 -1.954 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.695 -5.682 -3.537 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.658 -6.925 -3.080 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.799 -6.711 -3.872 1.00 0.00 C ATOM 0 H TRP A 22 5.228 -3.187 2.569 1.00 0.00 H new ATOM 0 HA TRP A 22 4.142 -1.694 0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.180 -4.579 1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.180 -4.016 -0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.658 -2.484 -0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.926 -3.392 -2.192 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.534 -6.291 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.565 -5.495 -4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.964 -7.711 -3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.986 -7.334 -4.734 1.00 0.00 H new ATOM 383 N VAL A 23 1.654 -1.951 0.967 1.00 0.00 N ATOM 384 CA VAL A 23 0.293 -1.814 1.478 1.00 0.00 C ATOM 385 C VAL A 23 -0.696 -2.247 0.393 1.00 0.00 C ATOM 386 O VAL A 23 -0.428 -2.080 -0.799 1.00 0.00 O ATOM 387 CB VAL A 23 0.003 -0.369 1.924 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.480 -0.061 3.348 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.628 0.662 0.985 1.00 0.00 C ATOM 0 H VAL A 23 1.725 -1.794 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 23 0.182 -2.453 2.354 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.084 -0.294 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.243 0.974 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.021 -0.726 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.558 -0.212 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.396 1.666 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.709 0.526 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.225 0.531 -0.019 1.00 0.00 H new ATOM 399 N ILE A 24 -1.841 -2.800 0.808 1.00 0.00 N ATOM 400 CA ILE A 24 -2.929 -3.171 -0.083 1.00 0.00 C ATOM 401 C ILE A 24 -4.074 -2.185 0.140 1.00 0.00 C ATOM 402 O ILE A 24 -4.774 -2.251 1.146 1.00 0.00 O ATOM 403 CB ILE A 24 -3.283 -4.661 0.072 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.767 -5.072 1.464 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.024 -5.474 -0.210 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.194 -5.622 1.442 1.00 0.00 C ATOM 0 H ILE A 24 -2.034 -3.003 1.789 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.646 -3.089 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.104 -4.846 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.095 -5.827 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.722 -4.211 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.246 -6.536 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.680 -5.272 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.245 -5.196 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.492 -5.900 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.872 -4.859 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.236 -6.500 0.797 1.00 0.00 H new ATOM 418 N LEU A 25 -4.182 -1.198 -0.752 1.00 0.00 N ATOM 419 CA LEU A 25 -5.163 -0.132 -0.648 1.00 0.00 C ATOM 420 C LEU A 25 -6.252 -0.440 -1.665 1.00 0.00 C ATOM 421 O LEU A 25 -6.018 -0.371 -2.868 1.00 0.00 O ATOM 422 CB LEU A 25 -4.511 1.230 -0.905 1.00 0.00 C ATOM 423 CG LEU A 25 -3.401 1.529 0.116 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.324 2.380 -0.543 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.943 2.309 1.308 1.00 0.00 C ATOM 0 H LEU A 25 -3.581 -1.122 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.588 -0.080 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.095 1.250 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.269 2.012 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.998 0.576 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.536 2.593 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.902 1.841 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.761 3.316 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.135 2.505 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.362 3.255 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.720 1.726 1.801 1.00 0.00 H new ATOM 437 N HIS A 26 -7.442 -0.803 -1.199 1.00 0.00 N ATOM 438 CA HIS A 26 -8.516 -1.288 -2.049 1.00 0.00 C ATOM 439 C HIS A 26 -8.042 -2.543 -2.797 1.00 0.00 C ATOM 440 O HIS A 26 -7.109 -3.224 -2.372 1.00 0.00 O ATOM 441 CB HIS A 26 -9.005 -0.173 -2.999 1.00 0.00 C ATOM 442 CG HIS A 26 -9.192 1.175 -2.344 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.364 1.664 -1.810 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.244 2.157 -2.224 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.120 2.912 -1.371 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.844 3.257 -1.610 1.00 0.00 N ATOM 0 H HIS A 26 -7.688 -0.767 -0.210 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.376 -1.569 -1.441 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.290 -0.070 -3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.952 -0.481 -3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.216 2.091 -2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.849 3.549 -0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.401 4.148 -1.387 1.00 0.00 H new ATOM 454 N HIS A 27 -8.660 -2.854 -3.938 1.00 0.00 N ATOM 455 CA HIS A 27 -8.317 -4.028 -4.727 1.00 0.00 C ATOM 456 C HIS A 27 -7.042 -3.795 -5.541 1.00 0.00 C ATOM 457 O HIS A 27 -7.054 -4.013 -6.749 1.00 0.00 O ATOM 458 CB HIS A 27 -9.501 -4.376 -5.639 1.00 0.00 C ATOM 459 CG HIS A 27 -10.767 -4.690 -4.887 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.034 -5.850 -4.194 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.874 -3.888 -4.797 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.284 -5.750 -3.710 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.832 -4.571 -4.046 1.00 0.00 N ATOM 0 H HIS A 27 -9.413 -2.295 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.118 -4.866 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.687 -3.541 -6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.233 -5.233 -6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.985 -2.905 -5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.780 -6.514 -3.130 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.765 -4.240 -3.801 1.00 0.00 H new ATOM 471 N LYS A 28 -5.945 -3.363 -4.910 1.00 0.00 N ATOM 472 CA LYS A 28 -4.666 -3.198 -5.584 1.00 0.00 C ATOM 473 C LYS A 28 -3.523 -3.049 -4.574 1.00 0.00 C ATOM 474 O LYS A 28 -3.715 -2.486 -3.496 1.00 0.00 O ATOM 475 CB LYS A 28 -4.735 -2.057 -6.621 1.00 0.00 C ATOM 476 CG LYS A 28 -4.624 -2.603 -8.054 1.00 0.00 C ATOM 477 CD LYS A 28 -5.415 -1.801 -9.098 1.00 0.00 C ATOM 478 CE LYS A 28 -6.866 -2.300 -9.190 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.459 -2.008 -10.505 1.00 0.00 N ATOM 0 H LYS A 28 -5.925 -3.120 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.443 -4.104 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.673 -1.514 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.931 -1.345 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.573 -2.618 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.973 -3.636 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.406 -0.744 -8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.933 -1.890 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.894 -3.374 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.463 -1.829 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.438 -2.359 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.455 -0.981 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.904 -2.478 -11.248 1.00 0.00 H new ATOM 493 N VAL A 29 -2.347 -3.595 -4.915 1.00 0.00 N ATOM 494 CA VAL A 29 -1.163 -3.567 -4.068 1.00 0.00 C ATOM 495 C VAL A 29 -0.245 -2.439 -4.541 1.00 0.00 C ATOM 496 O VAL A 29 0.087 -2.338 -5.728 1.00 0.00 O ATOM 497 CB VAL A 29 -0.444 -4.931 -4.043 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.739 -4.880 -3.060 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.402 -6.063 -3.643 1.00 0.00 C ATOM 0 H VAL A 29 -2.197 -4.074 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.461 -3.371 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.078 -5.137 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.243 -5.846 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.442 -4.109 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.372 -4.649 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.863 -7.010 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.803 -5.866 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.221 -6.117 -4.361 1.00 0.00 H new ATOM 509 N TYR A 30 0.169 -1.599 -3.590 1.00 0.00 N ATOM 510 CA TYR A 30 1.030 -0.457 -3.823 1.00 0.00 C ATOM 511 C TYR A 30 2.297 -0.620 -2.981 1.00 0.00 C ATOM 512 O TYR A 30 2.223 -1.051 -1.827 1.00 0.00 O ATOM 513 CB TYR A 30 0.255 0.815 -3.471 1.00 0.00 C ATOM 514 CG TYR A 30 -0.999 1.000 -4.306 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.894 1.512 -5.608 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.251 0.564 -3.838 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.038 1.647 -6.415 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.397 0.742 -4.631 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.296 1.295 -5.914 1.00 0.00 C ATOM 520 OH TYR A 30 -4.408 1.418 -6.697 1.00 0.00 O ATOM 0 H TYR A 30 -0.098 -1.705 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 30 1.332 -0.386 -4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.019 0.786 -2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.906 1.679 -3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.072 1.804 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.332 0.093 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.945 2.023 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.364 0.450 -4.248 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.197 1.129 -6.193 1.00 0.00 H new ATOM 530 N ASP A 31 3.451 -0.294 -3.574 1.00 0.00 N ATOM 531 CA ASP A 31 4.737 -0.286 -2.887 1.00 0.00 C ATOM 532 C ASP A 31 5.093 1.167 -2.639 1.00 0.00 C ATOM 533 O ASP A 31 4.996 1.985 -3.552 1.00 0.00 O ATOM 534 CB ASP A 31 5.827 -0.956 -3.728 1.00 0.00 C ATOM 535 CG ASP A 31 7.168 -1.068 -3.005 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.352 -0.383 -1.977 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.994 -1.900 -3.436 1.00 0.00 O ATOM 0 H ASP A 31 3.513 -0.026 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 31 4.667 -0.846 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.493 -1.953 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.965 -0.389 -4.649 1.00 0.00 H new ATOM 542 N LEU A 32 5.473 1.485 -1.405 1.00 0.00 N ATOM 543 CA LEU A 32 5.812 2.834 -1.011 1.00 0.00 C ATOM 544 C LEU A 32 7.199 2.866 -0.367 1.00 0.00 C ATOM 545 O LEU A 32 7.547 3.844 0.287 1.00 0.00 O ATOM 546 CB LEU A 32 4.709 3.351 -0.082 1.00 0.00 C ATOM 547 CG LEU A 32 3.298 3.187 -0.686 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.280 3.511 0.393 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.986 4.036 -1.932 1.00 0.00 C ATOM 0 H LEU A 32 5.553 0.803 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 32 5.867 3.493 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.758 2.817 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.887 4.404 0.136 1.00 0.00 H new ATOM 0 HG LEU A 32 3.249 2.155 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.274 3.402 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.410 2.828 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.425 4.536 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.967 3.835 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.085 5.093 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.684 3.782 -2.730 1.00 0.00 H new ATOM 561 N THR A 33 8.025 1.841 -0.597 1.00 0.00 N ATOM 562 CA THR A 33 9.365 1.717 -0.039 1.00 0.00 C ATOM 563 C THR A 33 10.207 2.969 -0.306 1.00 0.00 C ATOM 564 O THR A 33 10.819 3.510 0.614 1.00 0.00 O ATOM 565 CB THR A 33 10.003 0.421 -0.563 1.00 0.00 C ATOM 566 OG1 THR A 33 9.208 -0.675 -0.158 1.00 0.00 O ATOM 567 CG2 THR A 33 11.419 0.213 -0.021 1.00 0.00 C ATOM 0 H THR A 33 7.768 1.055 -1.194 1.00 0.00 H new ATOM 0 HA THR A 33 9.311 1.646 1.047 1.00 0.00 H new ATOM 0 HB THR A 33 10.061 0.496 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.654 -0.973 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.828 -0.715 -0.419 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.051 1.048 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.388 0.158 1.067 1.00 0.00 H new ATOM 575 N LYS A 34 10.221 3.461 -1.549 1.00 0.00 N ATOM 576 CA LYS A 34 10.926 4.692 -1.905 1.00 0.00 C ATOM 577 C LYS A 34 10.036 5.933 -1.789 1.00 0.00 C ATOM 578 O LYS A 34 10.447 7.017 -2.194 1.00 0.00 O ATOM 579 CB LYS A 34 11.497 4.558 -3.320 1.00 0.00 C ATOM 580 CG LYS A 34 12.615 3.502 -3.361 1.00 0.00 C ATOM 581 CD LYS A 34 13.905 4.037 -4.018 1.00 0.00 C ATOM 582 CE LYS A 34 14.326 3.177 -5.217 1.00 0.00 C ATOM 583 NZ LYS A 34 15.543 3.706 -5.871 1.00 0.00 N ATOM 0 H LYS A 34 9.744 3.017 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 34 11.739 4.832 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.703 4.280 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.887 5.520 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.837 3.172 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.266 2.628 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.749 5.065 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.709 4.055 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.507 2.154 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.512 3.138 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.796 3.099 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.363 4.673 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.327 3.719 -5.187 1.00 0.00 H new ATOM 597 N PHE A 35 8.832 5.785 -1.238 1.00 0.00 N ATOM 598 CA PHE A 35 7.878 6.866 -1.049 1.00 0.00 C ATOM 599 C PHE A 35 7.686 7.143 0.444 1.00 0.00 C ATOM 600 O PHE A 35 6.961 8.058 0.803 1.00 0.00 O ATOM 601 CB PHE A 35 6.573 6.482 -1.748 1.00 0.00 C ATOM 602 CG PHE A 35 5.464 7.512 -1.711 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.640 8.779 -2.296 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.256 7.208 -1.063 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.617 9.739 -2.211 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.209 8.138 -1.039 1.00 0.00 C ATOM 607 CZ PHE A 35 3.406 9.420 -1.572 1.00 0.00 C ATOM 0 H PHE A 35 8.489 4.885 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 35 8.245 7.792 -1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.797 6.257 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.201 5.562 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.560 9.014 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.133 6.250 -0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.761 10.721 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.254 7.869 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.627 10.163 -1.492 1.00 0.00 H new ATOM 617 N LEU A 36 8.343 6.383 1.324 1.00 0.00 N ATOM 618 CA LEU A 36 8.189 6.508 2.762 1.00 0.00 C ATOM 619 C LEU A 36 8.390 7.963 3.214 1.00 0.00 C ATOM 620 O LEU A 36 7.458 8.589 3.708 1.00 0.00 O ATOM 621 CB LEU A 36 9.163 5.541 3.451 1.00 0.00 C ATOM 622 CG LEU A 36 8.703 4.071 3.514 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.700 3.243 4.339 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.277 3.897 4.065 1.00 0.00 C ATOM 0 H LEU A 36 9.003 5.657 1.047 1.00 0.00 H new ATOM 0 HA LEU A 36 7.173 6.239 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.119 5.583 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.339 5.893 4.468 1.00 0.00 H new ATOM 0 HG LEU A 36 8.678 3.708 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.367 2.206 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.685 3.291 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.757 3.644 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.020 2.838 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.227 4.298 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.573 4.432 3.428 1.00 0.00 H new ATOM 636 N GLU A 37 9.590 8.520 3.032 1.00 0.00 N ATOM 637 CA GLU A 37 9.835 9.917 3.381 1.00 0.00 C ATOM 638 C GLU A 37 9.117 10.864 2.412 1.00 0.00 C ATOM 639 O GLU A 37 8.520 11.849 2.837 1.00 0.00 O ATOM 640 CB GLU A 37 11.343 10.210 3.439 1.00 0.00 C ATOM 641 CG GLU A 37 11.805 10.390 4.890 1.00 0.00 C ATOM 642 CD GLU A 37 13.271 10.794 4.946 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.531 12.003 4.772 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.103 9.880 5.139 1.00 0.00 O ATOM 0 H GLU A 37 10.398 8.029 2.649 1.00 0.00 H new ATOM 0 HA GLU A 37 9.424 10.094 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.895 9.393 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.566 11.111 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.195 11.150 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.658 9.461 5.441 1.00 0.00 H new ATOM 651 N GLU A 38 9.202 10.574 1.109 1.00 0.00 N ATOM 652 CA GLU A 38 8.620 11.396 0.050 1.00 0.00 C ATOM 653 C GLU A 38 7.130 11.691 0.291 1.00 0.00 C ATOM 654 O GLU A 38 6.659 12.782 -0.028 1.00 0.00 O ATOM 655 CB GLU A 38 8.855 10.693 -1.298 1.00 0.00 C ATOM 656 CG GLU A 38 9.874 11.406 -2.199 1.00 0.00 C ATOM 657 CD GLU A 38 9.208 12.306 -3.237 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.272 11.811 -3.903 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.660 13.464 -3.361 1.00 0.00 O ATOM 0 H GLU A 38 9.686 9.747 0.758 1.00 0.00 H new ATOM 0 HA GLU A 38 9.111 12.369 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.198 9.675 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.906 10.617 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.545 12.004 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.487 10.662 -2.708 1.00 0.00 H new ATOM 666 N HIS A 39 6.386 10.728 0.838 1.00 0.00 N ATOM 667 CA HIS A 39 4.976 10.862 1.175 1.00 0.00 C ATOM 668 C HIS A 39 4.728 12.147 1.969 1.00 0.00 C ATOM 669 O HIS A 39 5.197 12.241 3.107 1.00 0.00 O ATOM 670 CB HIS A 39 4.519 9.623 1.956 1.00 0.00 C ATOM 671 CG HIS A 39 3.120 9.676 2.526 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.811 9.511 3.853 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.937 9.707 1.835 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.475 9.452 3.957 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.889 9.555 2.751 1.00 0.00 N ATOM 0 H HIS A 39 6.763 9.808 1.064 1.00 0.00 H new ATOM 0 HA HIS A 39 4.390 10.931 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.589 8.757 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.218 9.457 2.776 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.478 9.445 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.831 9.828 0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.940 9.337 4.888 1.00 0.00 H new ATOM 683 N PRO A 40 3.983 13.122 1.408 1.00 0.00 N ATOM 684 CA PRO A 40 3.693 14.386 2.065 1.00 0.00 C ATOM 685 C PRO A 40 2.744 14.133 3.236 1.00 0.00 C ATOM 686 O PRO A 40 1.540 14.358 3.150 1.00 0.00 O ATOM 687 CB PRO A 40 3.103 15.307 0.990 1.00 0.00 C ATOM 688 CG PRO A 40 2.558 14.354 -0.067 1.00 0.00 C ATOM 689 CD PRO A 40 3.367 13.070 0.090 1.00 0.00 C ATOM 0 HA PRO A 40 4.577 14.862 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.315 15.941 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.862 15.970 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.494 14.169 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.672 14.770 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.725 12.194 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.126 12.993 -0.689 1.00 0.00 H new ATOM 697 N GLY A 41 3.314 13.629 4.325 1.00 0.00 N ATOM 698 CA GLY A 41 2.598 13.125 5.477 1.00 0.00 C ATOM 699 C GLY A 41 3.540 12.345 6.389 1.00 0.00 C ATOM 700 O GLY A 41 3.387 12.414 7.606 1.00 0.00 O ATOM 0 H GLY A 41 4.327 13.561 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.152 13.954 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.780 12.482 5.152 1.00 0.00 H new ATOM 704 N GLY A 42 4.524 11.627 5.826 1.00 0.00 N ATOM 705 CA GLY A 42 5.527 10.937 6.624 1.00 0.00 C ATOM 706 C GLY A 42 5.718 9.480 6.272 1.00 0.00 C ATOM 707 O GLY A 42 4.894 8.889 5.577 1.00 0.00 O ATOM 0 H GLY A 42 4.639 11.514 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.481 11.453 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.249 11.010 7.675 1.00 0.00 H new ATOM 711 N GLU A 43 6.769 8.894 6.854 1.00 0.00 N ATOM 712 CA GLU A 43 7.057 7.483 6.703 1.00 0.00 C ATOM 713 C GLU A 43 6.228 6.703 7.723 1.00 0.00 C ATOM 714 O GLU A 43 5.559 5.744 7.358 1.00 0.00 O ATOM 715 CB GLU A 43 8.568 7.236 6.946 1.00 0.00 C ATOM 716 CG GLU A 43 9.041 5.757 6.954 1.00 0.00 C ATOM 717 CD GLU A 43 9.178 5.042 8.300 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.916 5.695 9.329 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.578 3.848 8.271 1.00 0.00 O ATOM 0 H GLU A 43 7.438 9.393 7.441 1.00 0.00 H new ATOM 0 HA GLU A 43 6.804 7.152 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.128 7.768 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.836 7.684 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.345 5.183 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.010 5.716 6.457 1.00 0.00 H new ATOM 726 N GLU A 44 6.267 7.104 9.001 1.00 0.00 N ATOM 727 CA GLU A 44 5.745 6.277 10.088 1.00 0.00 C ATOM 728 C GLU A 44 4.257 5.995 9.880 1.00 0.00 C ATOM 729 O GLU A 44 3.834 4.843 9.901 1.00 0.00 O ATOM 730 CB GLU A 44 6.002 6.917 11.459 1.00 0.00 C ATOM 731 CG GLU A 44 5.963 5.843 12.558 1.00 0.00 C ATOM 732 CD GLU A 44 5.766 6.456 13.938 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.762 6.997 14.466 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.619 6.396 14.427 1.00 0.00 O ATOM 0 H GLU A 44 6.656 7.997 9.304 1.00 0.00 H new ATOM 0 HA GLU A 44 6.279 5.327 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.971 7.415 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.251 7.681 11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.154 5.141 12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.892 5.273 12.542 1.00 0.00 H new ATOM 741 N VAL A 45 3.476 7.042 9.593 1.00 0.00 N ATOM 742 CA VAL A 45 2.074 6.917 9.233 1.00 0.00 C ATOM 743 C VAL A 45 1.874 5.859 8.143 1.00 0.00 C ATOM 744 O VAL A 45 0.866 5.162 8.145 1.00 0.00 O ATOM 745 CB VAL A 45 1.507 8.285 8.812 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.404 9.226 10.018 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.301 8.968 7.689 1.00 0.00 C ATOM 0 H VAL A 45 3.810 8.006 9.606 1.00 0.00 H new ATOM 0 HA VAL A 45 1.520 6.579 10.109 1.00 0.00 H new ATOM 0 HB VAL A 45 0.514 8.079 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.001 10.186 9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.744 8.787 10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.394 9.374 10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.840 9.926 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.328 9.131 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.300 8.332 6.804 1.00 0.00 H new ATOM 757 N LEU A 46 2.838 5.720 7.228 1.00 0.00 N ATOM 758 CA LEU A 46 2.812 4.701 6.198 1.00 0.00 C ATOM 759 C LEU A 46 3.276 3.341 6.691 1.00 0.00 C ATOM 760 O LEU A 46 2.724 2.315 6.293 1.00 0.00 O ATOM 761 CB LEU A 46 3.567 5.164 4.943 1.00 0.00 C ATOM 762 CG LEU A 46 2.616 5.744 3.890 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.441 6.255 2.705 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.631 4.673 3.413 1.00 0.00 C ATOM 0 H LEU A 46 3.661 6.321 7.189 1.00 0.00 H new ATOM 0 HA LEU A 46 1.768 4.561 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.306 5.916 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.113 4.323 4.516 1.00 0.00 H new ATOM 0 HG LEU A 46 2.048 6.564 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.774 6.670 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.128 7.029 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.009 5.430 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.963 5.100 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.182 3.842 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.046 4.314 4.260 1.00 0.00 H new ATOM 776 N ARG A 47 4.283 3.325 7.558 1.00 0.00 N ATOM 777 CA ARG A 47 4.846 2.102 8.088 1.00 0.00 C ATOM 778 C ARG A 47 4.076 1.575 9.304 1.00 0.00 C ATOM 779 O ARG A 47 4.482 0.567 9.878 1.00 0.00 O ATOM 780 CB ARG A 47 6.341 2.315 8.377 1.00 0.00 C ATOM 781 CG ARG A 47 7.147 1.101 7.902 1.00 0.00 C ATOM 782 CD ARG A 47 8.078 0.524 8.963 1.00 0.00 C ATOM 783 NE ARG A 47 9.374 1.219 8.958 1.00 0.00 N ATOM 784 CZ ARG A 47 10.544 0.583 9.116 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.575 -0.650 9.639 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.679 1.169 8.731 1.00 0.00 N ATOM 0 H ARG A 47 4.730 4.171 7.911 1.00 0.00 H new ATOM 0 HA ARG A 47 4.747 1.319 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.692 3.215 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.495 2.468 9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.456 0.323 7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.737 1.387 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.616 0.615 9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.230 -0.540 8.779 1.00 0.00 H new ATOM 0 HE ARG A 47 9.383 2.231 8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.707 -1.108 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.466 -1.131 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.657 2.101 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.569 0.685 8.851 1.00 0.00 H new ATOM 800 N GLU A 48 2.974 2.234 9.680 1.00 0.00 N ATOM 801 CA GLU A 48 2.181 1.902 10.852 1.00 0.00 C ATOM 802 C GLU A 48 1.667 0.468 10.780 1.00 0.00 C ATOM 803 O GLU A 48 1.944 -0.349 11.655 1.00 0.00 O ATOM 804 CB GLU A 48 1.036 2.924 11.012 1.00 0.00 C ATOM 805 CG GLU A 48 1.166 3.733 12.309 1.00 0.00 C ATOM 806 CD GLU A 48 0.864 2.877 13.534 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.331 2.806 13.890 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.825 2.291 14.076 1.00 0.00 O ATOM 0 H GLU A 48 2.607 3.031 9.160 1.00 0.00 H new ATOM 0 HA GLU A 48 2.812 1.961 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.034 3.603 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.080 2.401 11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.175 4.138 12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.483 4.582 12.280 1.00 0.00 H new ATOM 815 N GLN A 49 0.917 0.155 9.722 1.00 0.00 N ATOM 816 CA GLN A 49 0.390 -1.183 9.537 1.00 0.00 C ATOM 817 C GLN A 49 1.345 -1.951 8.638 1.00 0.00 C ATOM 818 O GLN A 49 2.009 -2.887 9.082 1.00 0.00 O ATOM 819 CB GLN A 49 -1.027 -1.110 8.954 1.00 0.00 C ATOM 820 CG GLN A 49 -2.021 -0.525 9.961 1.00 0.00 C ATOM 821 CD GLN A 49 -2.499 0.878 9.606 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.773 1.664 9.004 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.730 1.205 9.985 1.00 0.00 N ATOM 0 H GLN A 49 0.665 0.814 8.985 1.00 0.00 H new ATOM 0 HA GLN A 49 0.313 -1.708 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.019 -0.498 8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.352 -2.108 8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.885 -1.186 10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.555 -0.502 10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.307 0.528 10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.098 2.133 9.777 1.00 0.00 H new ATOM 832 N ALA A 50 1.395 -1.526 7.372 1.00 0.00 N ATOM 833 CA ALA A 50 2.093 -2.203 6.289 1.00 0.00 C ATOM 834 C ALA A 50 1.620 -3.656 6.084 1.00 0.00 C ATOM 835 O ALA A 50 1.027 -4.272 6.966 1.00 0.00 O ATOM 836 CB ALA A 50 3.601 -2.088 6.516 1.00 0.00 C ATOM 0 H ALA A 50 0.932 -0.669 7.068 1.00 0.00 H new ATOM 0 HA ALA A 50 1.846 -1.706 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.130 -2.593 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.887 -1.036 6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.862 -2.552 7.467 1.00 0.00 H new ATOM 842 N GLY A 51 1.866 -4.205 4.891 1.00 0.00 N ATOM 843 CA GLY A 51 1.564 -5.583 4.513 1.00 0.00 C ATOM 844 C GLY A 51 0.208 -6.065 5.027 1.00 0.00 C ATOM 845 O GLY A 51 0.119 -7.110 5.670 1.00 0.00 O ATOM 0 H GLY A 51 2.299 -3.677 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.584 -5.668 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.345 -6.238 4.898 1.00 0.00 H new ATOM 849 N GLY A 52 -0.844 -5.293 4.754 1.00 0.00 N ATOM 850 CA GLY A 52 -2.176 -5.511 5.272 1.00 0.00 C ATOM 851 C GLY A 52 -3.062 -4.408 4.708 1.00 0.00 C ATOM 852 O GLY A 52 -2.545 -3.470 4.088 1.00 0.00 O ATOM 0 H GLY A 52 -0.781 -4.476 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.548 -6.492 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.175 -5.485 6.362 1.00 0.00 H new ATOM 856 N ASP A 53 -4.378 -4.535 4.906 1.00 0.00 N ATOM 857 CA ASP A 53 -5.333 -3.519 4.494 1.00 0.00 C ATOM 858 C ASP A 53 -5.074 -2.241 5.275 1.00 0.00 C ATOM 859 O ASP A 53 -5.501 -2.084 6.416 1.00 0.00 O ATOM 860 CB ASP A 53 -6.789 -3.977 4.646 1.00 0.00 C ATOM 861 CG ASP A 53 -7.718 -2.912 4.068 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.904 -1.852 4.710 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.167 -3.130 2.923 1.00 0.00 O ATOM 0 H ASP A 53 -4.804 -5.346 5.356 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.188 -3.333 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.939 -4.925 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.021 -4.146 5.698 1.00 0.00 H new ATOM 868 N ALA A 54 -4.335 -1.340 4.637 1.00 0.00 N ATOM 869 CA ALA A 54 -4.231 0.034 5.073 1.00 0.00 C ATOM 870 C ALA A 54 -5.367 0.869 4.476 1.00 0.00 C ATOM 871 O ALA A 54 -5.504 2.033 4.851 1.00 0.00 O ATOM 872 CB ALA A 54 -2.857 0.580 4.698 1.00 0.00 C ATOM 0 H ALA A 54 -3.792 -1.550 3.800 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.331 0.089 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.776 1.616 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.084 -0.016 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.728 0.530 3.617 1.00 0.00 H new ATOM 878 N THR A 55 -6.177 0.307 3.563 1.00 0.00 N ATOM 879 CA THR A 55 -7.346 0.970 3.003 1.00 0.00 C ATOM 880 C THR A 55 -8.148 1.662 4.088 1.00 0.00 C ATOM 881 O THR A 55 -8.401 2.858 3.974 1.00 0.00 O ATOM 882 CB THR A 55 -8.254 -0.006 2.246 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.479 -0.973 1.578 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.093 0.762 1.224 1.00 0.00 C ATOM 0 H THR A 55 -6.028 -0.632 3.195 1.00 0.00 H new ATOM 0 HA THR A 55 -6.975 1.712 2.296 1.00 0.00 H new ATOM 0 HB THR A 55 -8.909 -0.504 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.832 -1.866 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.738 0.067 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.706 1.502 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.434 1.266 0.517 1.00 0.00 H new ATOM 892 N GLU A 56 -8.514 0.924 5.139 1.00 0.00 N ATOM 893 CA GLU A 56 -9.311 1.484 6.224 1.00 0.00 C ATOM 894 C GLU A 56 -8.694 2.805 6.726 1.00 0.00 C ATOM 895 O GLU A 56 -9.390 3.805 6.874 1.00 0.00 O ATOM 896 CB GLU A 56 -9.512 0.418 7.319 1.00 0.00 C ATOM 897 CG GLU A 56 -10.902 0.481 7.977 1.00 0.00 C ATOM 898 CD GLU A 56 -11.392 -0.904 8.390 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.917 -1.388 9.440 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.227 -1.457 7.641 1.00 0.00 O ATOM 0 H GLU A 56 -8.270 -0.059 5.258 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.306 1.751 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.367 -0.571 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.748 0.545 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.862 1.129 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.614 0.927 7.283 1.00 0.00 H new ATOM 907 N ASN A 57 -7.368 2.841 6.900 1.00 0.00 N ATOM 908 CA ASN A 57 -6.654 4.015 7.397 1.00 0.00 C ATOM 909 C ASN A 57 -6.558 5.121 6.345 1.00 0.00 C ATOM 910 O ASN A 57 -6.652 6.307 6.659 1.00 0.00 O ATOM 911 CB ASN A 57 -5.240 3.615 7.825 1.00 0.00 C ATOM 912 CG ASN A 57 -4.703 4.512 8.937 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.108 4.007 9.882 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.914 5.825 8.872 1.00 0.00 N ATOM 0 H ASN A 57 -6.759 2.048 6.697 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.218 4.402 8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.244 2.579 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.573 3.666 6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.578 6.433 9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.412 6.223 8.075 1.00 0.00 H new ATOM 921 N PHE A 58 -6.288 4.732 5.102 1.00 0.00 N ATOM 922 CA PHE A 58 -6.203 5.638 3.967 1.00 0.00 C ATOM 923 C PHE A 58 -7.539 6.367 3.775 1.00 0.00 C ATOM 924 O PHE A 58 -7.549 7.578 3.543 1.00 0.00 O ATOM 925 CB PHE A 58 -5.777 4.817 2.746 1.00 0.00 C ATOM 926 CG PHE A 58 -5.858 5.515 1.405 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.795 6.315 0.950 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.973 5.298 0.575 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.876 6.950 -0.302 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.059 5.939 -0.671 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.016 6.774 -1.105 1.00 0.00 C ATOM 0 H PHE A 58 -6.119 3.757 4.853 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.459 6.418 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.749 4.487 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.397 3.921 2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.915 6.442 1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.764 4.637 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.063 7.572 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.927 5.790 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.090 7.281 -2.056 1.00 0.00 H new ATOM 941 N GLU A 59 -8.645 5.627 3.914 1.00 0.00 N ATOM 942 CA GLU A 59 -10.020 6.103 3.809 1.00 0.00 C ATOM 943 C GLU A 59 -10.431 6.884 5.058 1.00 0.00 C ATOM 944 O GLU A 59 -11.177 7.851 4.938 1.00 0.00 O ATOM 945 CB GLU A 59 -10.974 4.924 3.573 1.00 0.00 C ATOM 946 CG GLU A 59 -11.029 4.507 2.093 1.00 0.00 C ATOM 947 CD GLU A 59 -11.913 5.423 1.246 1.00 0.00 C ATOM 948 OE1 GLU A 59 -13.060 5.667 1.680 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.450 5.826 0.158 1.00 0.00 O ATOM 0 H GLU A 59 -8.597 4.628 4.113 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.081 6.780 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.655 4.074 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.975 5.196 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.019 4.506 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.402 3.485 2.023 1.00 0.00 H new ATOM 956 N ASP A 60 -9.931 6.508 6.241 1.00 0.00 N ATOM 957 CA ASP A 60 -10.120 7.289 7.462 1.00 0.00 C ATOM 958 C ASP A 60 -9.777 8.763 7.202 1.00 0.00 C ATOM 959 O ASP A 60 -10.551 9.667 7.512 1.00 0.00 O ATOM 960 CB ASP A 60 -9.257 6.705 8.587 1.00 0.00 C ATOM 961 CG ASP A 60 -9.704 7.206 9.952 1.00 0.00 C ATOM 962 OD1 ASP A 60 -9.223 8.292 10.340 1.00 0.00 O ATOM 963 OD2 ASP A 60 -10.500 6.484 10.588 1.00 0.00 O ATOM 0 H ASP A 60 -9.386 5.656 6.375 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.164 7.238 7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.313 5.617 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.214 6.974 8.423 1.00 0.00 H new ATOM 968 N VAL A 61 -8.627 8.987 6.554 1.00 0.00 N ATOM 969 CA VAL A 61 -8.192 10.307 6.101 1.00 0.00 C ATOM 970 C VAL A 61 -8.827 10.684 4.751 1.00 0.00 C ATOM 971 O VAL A 61 -8.905 11.862 4.403 1.00 0.00 O ATOM 972 CB VAL A 61 -6.654 10.343 6.064 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.119 11.672 5.508 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.098 10.145 7.480 1.00 0.00 C ATOM 0 H VAL A 61 -7.966 8.244 6.328 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.537 11.063 6.806 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.328 9.539 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.029 11.651 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.486 11.815 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.462 12.494 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.009 10.171 7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.462 10.942 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.427 9.181 7.869 1.00 0.00 H new ATOM 984 N GLY A 62 -9.249 9.707 3.950 1.00 0.00 N ATOM 985 CA GLY A 62 -9.952 9.928 2.694 1.00 0.00 C ATOM 986 C GLY A 62 -8.958 10.117 1.554 1.00 0.00 C ATOM 987 O GLY A 62 -9.042 9.427 0.541 1.00 0.00 O ATOM 0 H GLY A 62 -9.107 8.720 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.603 9.080 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.591 10.807 2.777 1.00 0.00 H new ATOM 991 N HIS A 63 -8.024 11.057 1.742 1.00 0.00 N ATOM 992 CA HIS A 63 -7.053 11.503 0.749 1.00 0.00 C ATOM 993 C HIS A 63 -7.723 12.217 -0.432 1.00 0.00 C ATOM 994 O HIS A 63 -8.895 12.016 -0.746 1.00 0.00 O ATOM 995 CB HIS A 63 -6.141 10.363 0.259 1.00 0.00 C ATOM 996 CG HIS A 63 -5.069 9.949 1.233 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.228 9.168 2.356 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.730 10.179 1.068 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.995 8.959 2.861 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.041 9.544 2.103 1.00 0.00 N ATOM 0 H HIS A 63 -7.924 11.546 2.632 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.416 12.227 1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.759 9.495 0.030 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.666 10.671 -0.673 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.108 8.816 2.733 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.282 10.755 0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.795 8.394 3.760 1.00 0.00 H new ATOM 1008 N SER A 64 -6.953 13.079 -1.097 1.00 0.00 N ATOM 1009 CA SER A 64 -7.392 13.801 -2.275 1.00 0.00 C ATOM 1010 C SER A 64 -7.423 12.863 -3.488 1.00 0.00 C ATOM 1011 O SER A 64 -6.792 11.809 -3.496 1.00 0.00 O ATOM 1012 CB SER A 64 -6.447 14.991 -2.482 1.00 0.00 C ATOM 1013 OG SER A 64 -6.367 15.701 -1.258 1.00 0.00 O ATOM 0 H SER A 64 -5.994 13.293 -0.822 1.00 0.00 H new ATOM 0 HA SER A 64 -8.407 14.178 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.460 14.645 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.818 15.639 -3.276 1.00 0.00 H new ATOM 0 HG SER A 64 -5.766 16.468 -1.363 1.00 0.00 H new ATOM 1019 N THR A 65 -8.143 13.257 -4.540 1.00 0.00 N ATOM 1020 CA THR A 65 -8.222 12.461 -5.763 1.00 0.00 C ATOM 1021 C THR A 65 -6.834 12.318 -6.398 1.00 0.00 C ATOM 1022 O THR A 65 -6.453 11.222 -6.807 1.00 0.00 O ATOM 1023 CB THR A 65 -9.264 13.066 -6.711 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.526 13.008 -6.073 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.362 12.297 -8.032 1.00 0.00 C ATOM 0 H THR A 65 -8.680 14.124 -4.568 1.00 0.00 H new ATOM 0 HA THR A 65 -8.556 11.450 -5.529 1.00 0.00 H new ATOM 0 HB THR A 65 -8.963 14.089 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.208 13.392 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.113 12.763 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.396 12.315 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.647 11.264 -7.832 1.00 0.00 H new ATOM 1033 N ASP A 66 -6.067 13.413 -6.405 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.696 13.463 -6.900 1.00 0.00 C ATOM 1035 C ASP A 66 -3.889 12.271 -6.373 1.00 0.00 C ATOM 1036 O ASP A 66 -3.277 11.518 -7.125 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.059 14.798 -6.470 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.281 15.448 -7.605 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.453 14.733 -8.207 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.524 16.652 -7.831 1.00 0.00 O ATOM 0 H ASP A 66 -6.397 14.313 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.696 13.401 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.839 15.479 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.392 14.626 -5.625 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.954 12.055 -5.054 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.313 10.930 -4.387 1.00 0.00 C ATOM 1047 C ALA A 67 -3.763 9.578 -4.951 1.00 0.00 C ATOM 1048 O ALA A 67 -2.945 8.667 -5.035 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.548 10.994 -2.875 1.00 0.00 C ATOM 0 H ALA A 67 -4.462 12.669 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.244 11.012 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.061 10.145 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.132 11.921 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.618 10.961 -2.671 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.034 9.412 -5.333 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.475 8.162 -5.948 1.00 0.00 C ATOM 1057 C ARG A 68 -4.780 7.951 -7.291 1.00 0.00 C ATOM 1058 O ARG A 68 -4.291 6.859 -7.578 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.993 8.099 -6.142 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.781 8.291 -4.841 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.103 7.510 -4.912 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.218 8.231 -4.277 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.473 7.756 -4.201 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.728 6.497 -4.577 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.467 8.541 -3.774 1.00 0.00 N ATOM 0 H ARG A 68 -5.763 10.117 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.199 7.365 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.293 8.866 -6.856 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.256 7.136 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.190 7.946 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.982 9.350 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.349 7.313 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.976 6.543 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.027 9.147 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.972 5.904 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.678 6.131 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.275 9.506 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.418 8.175 -3.718 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.733 8.983 -8.131 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.026 8.885 -9.400 1.00 0.00 C ATOM 1081 C GLU A 69 -2.540 8.597 -9.144 1.00 0.00 C ATOM 1082 O GLU A 69 -1.954 7.706 -9.757 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.279 10.149 -10.227 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.737 10.145 -10.710 1.00 0.00 C ATOM 1085 CD GLU A 69 -6.128 11.475 -11.335 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.931 11.599 -12.562 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.630 12.326 -10.571 1.00 0.00 O ATOM 0 H GLU A 69 -5.172 9.887 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.402 8.050 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.083 11.037 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.600 10.184 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.877 9.346 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.398 9.930 -9.870 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.939 9.294 -8.181 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.557 9.059 -7.793 1.00 0.00 C ATOM 1096 C LEU A 70 -0.359 7.624 -7.292 1.00 0.00 C ATOM 1097 O LEU A 70 0.655 7.000 -7.593 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.116 10.095 -6.750 1.00 0.00 C ATOM 1099 CG LEU A 70 1.392 10.370 -6.843 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.704 11.316 -8.011 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.881 11.012 -5.541 1.00 0.00 C ATOM 0 H LEU A 70 -2.399 10.035 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 70 0.077 9.177 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.667 11.023 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.362 9.736 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 70 1.901 9.421 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.778 11.496 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.372 10.863 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.184 12.262 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.951 11.206 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.352 11.951 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.688 10.337 -4.707 1.00 0.00 H new ATOM 1113 N SER A 71 -1.333 7.074 -6.562 1.00 0.00 N ATOM 1114 CA SER A 71 -1.324 5.681 -6.131 1.00 0.00 C ATOM 1115 C SER A 71 -1.002 4.778 -7.320 1.00 0.00 C ATOM 1116 O SER A 71 -0.142 3.913 -7.215 1.00 0.00 O ATOM 1117 CB SER A 71 -2.666 5.302 -5.484 1.00 0.00 C ATOM 1118 OG SER A 71 -2.593 4.092 -4.761 1.00 0.00 O ATOM 0 H SER A 71 -2.156 7.591 -6.253 1.00 0.00 H new ATOM 0 HA SER A 71 -0.551 5.545 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.983 6.103 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.427 5.214 -6.259 1.00 0.00 H new ATOM 0 HG SER A 71 -2.724 3.337 -5.372 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.646 4.998 -8.468 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.383 4.212 -9.665 1.00 0.00 C ATOM 1126 C LYS A 72 0.098 4.245 -10.061 1.00 0.00 C ATOM 1127 O LYS A 72 0.680 3.208 -10.365 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.317 4.658 -10.793 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.395 3.594 -11.034 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.530 4.177 -11.883 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.700 3.199 -12.049 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.393 2.946 -10.769 1.00 0.00 N ATOM 0 H LYS A 72 -2.357 5.720 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.598 3.165 -9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.784 5.609 -10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.745 4.821 -11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.959 2.731 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.788 3.241 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.891 5.095 -11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.143 4.446 -12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.409 3.601 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.331 2.257 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.272 2.420 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.777 2.387 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.619 3.852 -10.311 1.00 0.00 H new ATOM 1146 N THR A 73 0.735 5.412 -10.005 1.00 0.00 N ATOM 1147 CA THR A 73 2.178 5.527 -10.202 1.00 0.00 C ATOM 1148 C THR A 73 2.994 4.646 -9.231 1.00 0.00 C ATOM 1149 O THR A 73 4.121 4.277 -9.555 1.00 0.00 O ATOM 1150 CB THR A 73 2.556 7.021 -10.184 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.279 7.578 -11.453 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.011 7.298 -9.821 1.00 0.00 C ATOM 0 H THR A 73 0.268 6.301 -9.823 1.00 0.00 H new ATOM 0 HA THR A 73 2.448 5.124 -11.178 1.00 0.00 H new ATOM 0 HB THR A 73 1.956 7.481 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.515 8.529 -11.451 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.190 8.373 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.219 6.906 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.665 6.813 -10.546 1.00 0.00 H new ATOM 1160 N TYR A 74 2.445 4.272 -8.068 1.00 0.00 N ATOM 1161 CA TYR A 74 3.095 3.401 -7.086 1.00 0.00 C ATOM 1162 C TYR A 74 2.587 1.957 -7.156 1.00 0.00 C ATOM 1163 O TYR A 74 2.910 1.132 -6.297 1.00 0.00 O ATOM 1164 CB TYR A 74 2.857 3.973 -5.685 1.00 0.00 C ATOM 1165 CG TYR A 74 3.660 5.223 -5.401 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.062 5.135 -5.329 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.033 6.479 -5.331 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.838 6.305 -5.313 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.810 7.647 -5.253 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.212 7.560 -5.291 1.00 0.00 C ATOM 1171 OH TYR A 74 5.976 8.686 -5.348 1.00 0.00 O ATOM 0 H TYR A 74 1.515 4.575 -7.779 1.00 0.00 H new ATOM 0 HA TYR A 74 4.161 3.372 -7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.797 4.197 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.106 3.214 -4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.541 4.168 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.955 6.546 -5.337 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.916 6.239 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.330 8.611 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 74 5.980 9.124 -4.471 1.00 0.00 H new ATOM 1181 N ILE A 75 1.760 1.647 -8.153 1.00 0.00 N ATOM 1182 CA ILE A 75 1.150 0.336 -8.268 1.00 0.00 C ATOM 1183 C ILE A 75 2.202 -0.683 -8.666 1.00 0.00 C ATOM 1184 O ILE A 75 2.924 -0.495 -9.644 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.062 0.390 -9.208 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.156 -0.592 -8.766 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.257 0.168 -10.695 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.508 -0.163 -9.339 1.00 0.00 C ATOM 0 H ILE A 75 1.499 2.296 -8.895 1.00 0.00 H new ATOM 0 HA ILE A 75 0.757 0.012 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.419 1.417 -9.124 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.911 -1.599 -9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.207 -0.626 -7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.663 0.225 -11.277 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.951 0.936 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.710 -0.815 -10.827 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.278 -0.866 -9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.756 0.835 -8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.455 -0.152 -10.428 1.00 0.00 H new ATOM 1200 N ILE A 76 2.292 -1.760 -7.891 1.00 0.00 N ATOM 1201 CA ILE A 76 3.193 -2.859 -8.186 1.00 0.00 C ATOM 1202 C ILE A 76 2.410 -4.076 -8.647 1.00 0.00 C ATOM 1203 O ILE A 76 2.954 -4.884 -9.390 1.00 0.00 O ATOM 1204 CB ILE A 76 4.058 -3.200 -6.971 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.211 -3.250 -5.691 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.195 -2.175 -6.859 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.859 -4.148 -4.650 1.00 0.00 C ATOM 0 H ILE A 76 1.741 -1.891 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 76 3.857 -2.549 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 76 4.493 -4.191 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.094 -2.244 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.212 -3.618 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.815 -2.413 -5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.804 -2.207 -7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.774 -1.176 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.242 -4.168 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.953 -5.158 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.848 -3.763 -4.402 1.00 0.00 H new ATOM 1219 N GLY A 77 1.162 -4.238 -8.209 1.00 0.00 N ATOM 1220 CA GLY A 77 0.388 -5.409 -8.552 1.00 0.00 C ATOM 1221 C GLY A 77 -0.989 -5.309 -7.917 1.00 0.00 C ATOM 1222 O GLY A 77 -1.402 -4.230 -7.487 1.00 0.00 O ATOM 0 H GLY A 77 0.674 -3.567 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.296 -5.493 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.896 -6.309 -8.205 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.697 -6.432 -7.868 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.072 -6.530 -7.446 1.00 0.00 C ATOM 1228 C GLU A 78 -3.203 -7.659 -6.420 1.00 0.00 C ATOM 1229 O GLU A 78 -2.381 -8.576 -6.369 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.982 -6.686 -8.675 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.673 -5.647 -9.773 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.834 -5.456 -10.750 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.166 -6.454 -11.421 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.374 -4.323 -10.813 1.00 0.00 O ATOM 0 H GLU A 78 -1.302 -7.334 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.399 -5.618 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.865 -7.689 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.023 -6.587 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.436 -4.691 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.787 -5.961 -10.325 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.205 -7.545 -5.549 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.475 -8.524 -4.511 1.00 0.00 C ATOM 1243 C LEU A 79 -5.013 -9.789 -5.177 1.00 0.00 C ATOM 1244 O LEU A 79 -5.894 -9.688 -6.029 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.485 -7.908 -3.534 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.994 -8.884 -2.466 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.847 -9.424 -1.609 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -7.007 -8.167 -1.567 1.00 0.00 C ATOM 0 H LEU A 79 -4.856 -6.760 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.579 -8.793 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.022 -7.054 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.336 -7.527 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.466 -9.727 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.243 -10.112 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.134 -9.949 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.346 -8.596 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.371 -8.858 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.527 -7.316 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.845 -7.817 -2.170 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.473 -10.963 -4.825 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.839 -12.241 -5.425 1.00 0.00 C ATOM 1262 C HIS A 80 -6.359 -12.386 -5.569 1.00 0.00 C ATOM 1263 O HIS A 80 -7.090 -12.043 -4.637 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.275 -13.374 -4.559 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.060 -14.666 -5.298 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.787 -15.826 -5.165 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.056 -14.902 -6.200 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.240 -16.737 -5.990 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.187 -16.219 -6.644 1.00 0.00 N ATOM 0 H HIS A 80 -3.758 -11.047 -4.102 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.416 -12.290 -6.428 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.326 -13.051 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.956 -13.553 -3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.300 -14.197 -6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.599 -17.748 -6.110 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.600 -16.694 -7.329 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.854 -12.927 -6.697 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.282 -13.006 -6.956 1.00 0.00 C ATOM 1279 C PRO A 81 -9.023 -13.895 -5.949 1.00 0.00 C ATOM 1280 O PRO A 81 -10.248 -13.857 -5.891 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.430 -13.468 -8.409 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.100 -14.149 -8.731 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.095 -13.455 -7.819 1.00 0.00 C ATOM 0 HA PRO A 81 -8.756 -12.034 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.267 -14.157 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.617 -12.626 -9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.143 -15.220 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.835 -14.028 -9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.333 -14.155 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.578 -12.655 -8.349 1.00 0.00 H new