USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 728 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 64 SER OG : rot 180:sc= -0.381 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 179:sc= -0.72! (180deg=-0.351!) USER MOD Set 2.1: A 4 ASN : amide:sc= 1.16 K(o=2.1,f=-0.58) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.965 K(o=2.1,f=-0.85) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -2.49 (180deg=-2.74) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0823! USER MOD Single : A 3 MET CE :methyl -175:sc= -0.702 (180deg=-0.795) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 100:sc= -1.48 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.4 K(o=-1.4,f=0.17) USER MOD Single : A 10 MET CE :methyl 163:sc= -2.31 (180deg=-3.58!) USER MOD Single : A 13 THR OG1 : rot -149:sc= -1.05 USER MOD Single : A 18 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.39) USER MOD Single : A 19 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-5.8!) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0364) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0758 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 42 SER OG : rot 164:sc= -1.08 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 55 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.47) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.92) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= -0.319 (180deg=-0.973) USER MOD Single : A 67 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-3.3!) USER MOD Single : A 70 MET CE :methyl -175:sc= -0.15 (180deg=-0.191) USER MOD Single : A 71 TYR OH : rot -2:sc= 0.339 USER MOD Single : A 72 THR OG1 : rot -160:sc= -2 USER MOD Single : A 75 ASN : amide:sc= 0.86 K(o=0.86,f=-0.32) USER MOD Single : A 79 ASN : amide:sc= -4.98! C(o=-5!,f=-7.4!) USER MOD Single : A 84 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.025) USER MOD Single : A 86 ASN : amide:sc= 0.504 K(o=0.5,f=-0.0093) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -0.212 (180deg=-0.376) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.456 -1.240 -6.523 1.00 0.00 N ATOM 2 CA MET A 1 185.728 -0.521 -7.602 1.00 0.00 C ATOM 3 C MET A 1 184.715 -1.429 -8.295 1.00 0.00 C ATOM 4 O MET A 1 183.866 -0.956 -9.053 1.00 0.00 O ATOM 5 CB MET A 1 186.750 0.001 -8.613 1.00 0.00 C ATOM 6 CG MET A 1 187.740 0.992 -8.020 1.00 0.00 C ATOM 7 SD MET A 1 188.484 2.060 -9.266 1.00 0.00 S ATOM 8 CE MET A 1 190.079 1.276 -9.474 1.00 0.00 C ATOM 0 H1 MET A 1 186.827 -0.552 -5.837 1.00 0.00 H new ATOM 0 H2 MET A 1 185.806 -1.893 -6.041 1.00 0.00 H new ATOM 0 H3 MET A 1 187.245 -1.778 -6.935 1.00 0.00 H new ATOM 0 HA MET A 1 185.172 0.308 -7.164 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.299 -0.843 -9.031 1.00 0.00 H new ATOM 0 HB3 MET A 1 186.221 0.478 -9.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 187.232 1.607 -7.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 188.526 0.446 -7.499 1.00 0.00 H new ATOM 0 HE1 MET A 1 190.659 1.823 -10.217 1.00 0.00 H new ATOM 0 HE2 MET A 1 190.612 1.278 -8.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.938 0.248 -9.809 1.00 0.00 H new ATOM 20 N THR A 2 184.802 -2.730 -8.034 1.00 0.00 N ATOM 21 CA THR A 2 183.885 -3.691 -8.638 1.00 0.00 C ATOM 22 C THR A 2 182.449 -3.428 -8.161 1.00 0.00 C ATOM 23 O THR A 2 181.939 -2.320 -8.321 1.00 0.00 O ATOM 24 CB THR A 2 184.337 -5.121 -8.316 1.00 0.00 C ATOM 25 OG1 THR A 2 183.355 -6.062 -8.710 1.00 0.00 O ATOM 26 CG2 THR A 2 184.625 -5.343 -6.847 1.00 0.00 C ATOM 0 H THR A 2 185.496 -3.142 -7.410 1.00 0.00 H new ATOM 0 HA THR A 2 183.899 -3.572 -9.721 1.00 0.00 H new ATOM 0 HB THR A 2 185.262 -5.261 -8.875 1.00 0.00 H new ATOM 0 HG1 THR A 2 183.665 -6.967 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.940 -6.375 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 2 185.419 -4.669 -6.526 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.724 -5.146 -6.266 1.00 0.00 H new ATOM 34 N MET A 3 181.796 -4.433 -7.578 1.00 0.00 N ATOM 35 CA MET A 3 180.429 -4.267 -7.095 1.00 0.00 C ATOM 36 C MET A 3 179.931 -5.536 -6.409 1.00 0.00 C ATOM 37 O MET A 3 179.286 -6.380 -7.032 1.00 0.00 O ATOM 38 CB MET A 3 179.497 -3.899 -8.252 1.00 0.00 C ATOM 39 CG MET A 3 178.475 -2.833 -7.896 1.00 0.00 C ATOM 40 SD MET A 3 179.239 -1.263 -7.448 1.00 0.00 S ATOM 41 CE MET A 3 177.806 -0.188 -7.412 1.00 0.00 C ATOM 0 H MET A 3 182.189 -5.363 -7.430 1.00 0.00 H new ATOM 0 HA MET A 3 180.427 -3.459 -6.364 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.096 -3.549 -9.093 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.974 -4.795 -8.585 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.806 -2.679 -8.743 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.862 -3.185 -7.066 1.00 0.00 H new ATOM 0 HE1 MET A 3 178.126 0.839 -7.236 1.00 0.00 H new ATOM 0 HE2 MET A 3 177.283 -0.247 -8.366 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.136 -0.501 -6.611 1.00 0.00 H new ATOM 51 N ASN A 4 180.231 -5.662 -5.120 1.00 0.00 N ATOM 52 CA ASN A 4 179.812 -6.824 -4.348 1.00 0.00 C ATOM 53 C ASN A 4 178.564 -6.506 -3.532 1.00 0.00 C ATOM 54 O ASN A 4 178.613 -5.724 -2.583 1.00 0.00 O ATOM 55 CB ASN A 4 180.939 -7.280 -3.421 1.00 0.00 C ATOM 56 CG ASN A 4 182.261 -7.432 -4.150 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.325 -8.030 -5.224 1.00 0.00 O ATOM 58 ND2 ASN A 4 183.323 -6.889 -3.567 1.00 0.00 N ATOM 0 H ASN A 4 180.763 -4.973 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 4 179.577 -7.630 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.054 -6.559 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.668 -8.232 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 4 184.239 -6.958 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 4 183.223 -6.402 -2.676 1.00 0.00 H new ATOM 65 N ILE A 5 177.443 -7.111 -3.911 1.00 0.00 N ATOM 66 CA ILE A 5 176.181 -6.886 -3.215 1.00 0.00 C ATOM 67 C ILE A 5 175.593 -8.196 -2.701 1.00 0.00 C ATOM 68 O ILE A 5 175.284 -9.096 -3.481 1.00 0.00 O ATOM 69 CB ILE A 5 175.150 -6.197 -4.128 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.797 -5.034 -4.885 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.962 -5.709 -3.312 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.856 -4.338 -5.844 1.00 0.00 C ATOM 0 H ILE A 5 177.383 -7.760 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 5 176.400 -6.234 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 5 174.792 -6.924 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.172 -4.307 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.658 -5.407 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.242 -5.224 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.488 -6.557 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.304 -4.996 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.382 -3.525 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.500 -5.052 -6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.007 -3.935 -5.292 1.00 0.00 H new ATOM 84 N THR A 6 175.441 -8.293 -1.385 1.00 0.00 N ATOM 85 CA THR A 6 174.887 -9.491 -0.764 1.00 0.00 C ATOM 86 C THR A 6 173.796 -9.129 0.236 1.00 0.00 C ATOM 87 O THR A 6 174.020 -9.137 1.447 1.00 0.00 O ATOM 88 CB THR A 6 175.993 -10.286 -0.066 1.00 0.00 C ATOM 89 OG1 THR A 6 177.030 -10.607 -0.975 1.00 0.00 O ATOM 90 CG2 THR A 6 175.501 -11.579 0.547 1.00 0.00 C ATOM 0 H THR A 6 175.694 -7.556 -0.727 1.00 0.00 H new ATOM 0 HA THR A 6 174.446 -10.107 -1.548 1.00 0.00 H new ATOM 0 HB THR A 6 176.356 -9.639 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.728 -11.113 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.333 -12.095 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.734 -11.361 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.081 -12.215 -0.233 1.00 0.00 H new ATOM 98 N SER A 7 172.612 -8.808 -0.278 1.00 0.00 N ATOM 99 CA SER A 7 171.485 -8.439 0.569 1.00 0.00 C ATOM 100 C SER A 7 170.842 -9.674 1.193 1.00 0.00 C ATOM 101 O SER A 7 170.686 -10.702 0.536 1.00 0.00 O ATOM 102 CB SER A 7 170.444 -7.666 -0.241 1.00 0.00 C ATOM 103 OG SER A 7 170.854 -6.324 -0.445 1.00 0.00 O ATOM 0 H SER A 7 172.409 -8.796 -1.278 1.00 0.00 H new ATOM 0 HA SER A 7 171.861 -7.803 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.291 -8.154 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.487 -7.683 0.280 1.00 0.00 H new ATOM 0 HG SER A 7 171.233 -6.231 -1.344 1.00 0.00 H new ATOM 109 N LYS A 8 170.471 -9.560 2.465 1.00 0.00 N ATOM 110 CA LYS A 8 169.842 -10.666 3.176 1.00 0.00 C ATOM 111 C LYS A 8 168.322 -10.547 3.125 1.00 0.00 C ATOM 112 O LYS A 8 167.767 -9.478 3.374 1.00 0.00 O ATOM 113 CB LYS A 8 170.321 -10.704 4.630 1.00 0.00 C ATOM 114 CG LYS A 8 170.864 -12.059 5.055 1.00 0.00 C ATOM 115 CD LYS A 8 170.208 -12.548 6.337 1.00 0.00 C ATOM 116 CE LYS A 8 170.075 -14.061 6.351 1.00 0.00 C ATOM 117 NZ LYS A 8 168.996 -14.516 7.271 1.00 0.00 N ATOM 0 H LYS A 8 170.595 -8.715 3.022 1.00 0.00 H new ATOM 0 HA LYS A 8 170.131 -11.596 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.097 -9.951 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.493 -10.432 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.695 -12.785 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 8 171.942 -11.990 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 8 170.798 -12.225 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 8 169.222 -12.094 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 8 169.865 -14.416 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 8 171.023 -14.506 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 168.938 -15.554 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 169.208 -14.199 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 168.087 -14.113 6.966 1.00 0.00 H new ATOM 131 N GLN A 9 167.658 -11.659 2.799 1.00 0.00 N ATOM 132 CA GLN A 9 166.195 -11.705 2.704 1.00 0.00 C ATOM 133 C GLN A 9 165.624 -10.396 2.158 1.00 0.00 C ATOM 134 O GLN A 9 164.559 -9.946 2.580 1.00 0.00 O ATOM 135 CB GLN A 9 165.549 -12.042 4.061 1.00 0.00 C ATOM 136 CG GLN A 9 166.390 -11.700 5.284 1.00 0.00 C ATOM 137 CD GLN A 9 165.970 -10.397 5.936 1.00 0.00 C ATOM 138 OE1 GLN A 9 164.920 -10.317 6.573 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.790 -9.364 5.779 1.00 0.00 N ATOM 0 H GLN A 9 168.115 -12.548 2.595 1.00 0.00 H new ATOM 0 HA GLN A 9 165.951 -12.502 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.599 -11.513 4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.323 -13.108 4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 9 166.311 -12.508 6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 9 167.438 -11.635 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 9 167.651 -9.473 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.559 -8.462 6.194 1.00 0.00 H new ATOM 148 N MET A 10 166.341 -9.795 1.212 1.00 0.00 N ATOM 149 CA MET A 10 165.909 -8.544 0.601 1.00 0.00 C ATOM 150 C MET A 10 166.583 -8.343 -0.755 1.00 0.00 C ATOM 151 O MET A 10 167.798 -8.494 -0.883 1.00 0.00 O ATOM 152 CB MET A 10 166.220 -7.361 1.526 1.00 0.00 C ATOM 153 CG MET A 10 165.961 -5.999 0.898 1.00 0.00 C ATOM 154 SD MET A 10 164.337 -5.880 0.122 1.00 0.00 S ATOM 155 CE MET A 10 163.357 -5.243 1.479 1.00 0.00 C ATOM 0 H MET A 10 167.225 -10.156 0.852 1.00 0.00 H new ATOM 0 HA MET A 10 164.831 -8.595 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.619 -7.453 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 10 167.265 -7.416 1.831 1.00 0.00 H new ATOM 0 HG2 MET A 10 166.049 -5.229 1.664 1.00 0.00 H new ATOM 0 HG3 MET A 10 166.730 -5.796 0.152 1.00 0.00 H new ATOM 0 HE1 MET A 10 162.423 -4.834 1.093 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.138 -6.049 2.180 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.912 -4.457 1.991 1.00 0.00 H new ATOM 165 N GLU A 11 165.785 -8.003 -1.760 1.00 0.00 N ATOM 166 CA GLU A 11 166.300 -7.780 -3.106 1.00 0.00 C ATOM 167 C GLU A 11 166.632 -6.308 -3.327 1.00 0.00 C ATOM 168 O GLU A 11 166.486 -5.487 -2.422 1.00 0.00 O ATOM 169 CB GLU A 11 165.281 -8.247 -4.147 1.00 0.00 C ATOM 170 CG GLU A 11 163.987 -7.450 -4.131 1.00 0.00 C ATOM 171 CD GLU A 11 162.800 -8.254 -4.628 1.00 0.00 C ATOM 172 OE1 GLU A 11 162.964 -9.006 -5.610 1.00 0.00 O ATOM 173 OE2 GLU A 11 161.708 -8.129 -4.034 1.00 0.00 O ATOM 0 H GLU A 11 164.777 -7.875 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 11 167.216 -8.360 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.729 -8.177 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.053 -9.299 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.789 -7.106 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.104 -6.561 -4.751 1.00 0.00 H new ATOM 180 N ILE A 12 167.077 -5.981 -4.538 1.00 0.00 N ATOM 181 CA ILE A 12 167.427 -4.607 -4.876 1.00 0.00 C ATOM 182 C ILE A 12 166.338 -3.955 -5.722 1.00 0.00 C ATOM 183 O ILE A 12 166.021 -4.428 -6.814 1.00 0.00 O ATOM 184 CB ILE A 12 168.766 -4.529 -5.644 1.00 0.00 C ATOM 185 CG1 ILE A 12 169.700 -5.673 -5.233 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.435 -3.185 -5.401 1.00 0.00 C ATOM 187 CD1 ILE A 12 169.902 -5.786 -3.737 1.00 0.00 C ATOM 0 H ILE A 12 167.203 -6.648 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 12 167.528 -4.072 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 12 168.556 -4.629 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.295 -6.613 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 12 170.669 -5.529 -5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.377 -3.143 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 12 168.780 -2.385 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.628 -3.062 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.574 -6.617 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.336 -4.861 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 12 168.942 -5.962 -3.252 1.00 0.00 H new ATOM 199 N THR A 13 165.771 -2.867 -5.213 1.00 0.00 N ATOM 200 CA THR A 13 164.720 -2.149 -5.925 1.00 0.00 C ATOM 201 C THR A 13 165.303 -0.964 -6.691 1.00 0.00 C ATOM 202 O THR A 13 166.377 -0.465 -6.351 1.00 0.00 O ATOM 203 CB THR A 13 163.650 -1.665 -4.943 1.00 0.00 C ATOM 204 OG1 THR A 13 164.073 -0.486 -4.281 1.00 0.00 O ATOM 205 CG2 THR A 13 163.300 -2.685 -3.881 1.00 0.00 C ATOM 0 H THR A 13 166.021 -2.463 -4.311 1.00 0.00 H new ATOM 0 HA THR A 13 164.261 -2.832 -6.640 1.00 0.00 H new ATOM 0 HB THR A 13 162.765 -1.483 -5.552 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.684 -0.458 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.536 -2.275 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.921 -3.590 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.190 -2.926 -3.300 1.00 0.00 H new ATOM 213 N PRO A 14 164.606 -0.493 -7.739 1.00 0.00 N ATOM 214 CA PRO A 14 165.062 0.638 -8.551 1.00 0.00 C ATOM 215 C PRO A 14 165.464 1.837 -7.698 1.00 0.00 C ATOM 216 O PRO A 14 166.479 2.485 -7.956 1.00 0.00 O ATOM 217 CB PRO A 14 163.845 0.983 -9.427 1.00 0.00 C ATOM 218 CG PRO A 14 162.709 0.186 -8.874 1.00 0.00 C ATOM 219 CD PRO A 14 163.322 -1.017 -8.219 1.00 0.00 C ATOM 0 HA PRO A 14 165.951 0.385 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.628 2.051 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.030 0.729 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.136 0.772 -8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.020 -0.110 -9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.706 -1.393 -7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.456 -1.839 -8.922 1.00 0.00 H new ATOM 227 N ALA A 15 164.661 2.127 -6.680 1.00 0.00 N ATOM 228 CA ALA A 15 164.932 3.249 -5.787 1.00 0.00 C ATOM 229 C ALA A 15 166.214 3.027 -4.991 1.00 0.00 C ATOM 230 O ALA A 15 166.945 3.974 -4.700 1.00 0.00 O ATOM 231 CB ALA A 15 163.756 3.470 -4.849 1.00 0.00 C ATOM 0 H ALA A 15 163.817 1.601 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 15 165.070 4.141 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.971 4.310 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.861 3.687 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.592 2.572 -4.253 1.00 0.00 H new ATOM 237 N ILE A 16 166.481 1.773 -4.639 1.00 0.00 N ATOM 238 CA ILE A 16 167.675 1.432 -3.873 1.00 0.00 C ATOM 239 C ILE A 16 168.913 1.400 -4.764 1.00 0.00 C ATOM 240 O ILE A 16 169.911 2.062 -4.480 1.00 0.00 O ATOM 241 CB ILE A 16 167.522 0.069 -3.167 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.292 0.077 -2.259 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.772 -0.259 -2.362 1.00 0.00 C ATOM 244 CD1 ILE A 16 165.932 -1.287 -1.713 1.00 0.00 C ATOM 0 H ILE A 16 165.887 0.977 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 16 167.798 2.209 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 16 167.390 -0.701 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.470 0.757 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.442 0.472 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.646 -1.224 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.633 -0.301 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.933 0.513 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.050 -1.204 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.721 -1.966 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.765 -1.676 -1.128 1.00 0.00 H new ATOM 256 N ARG A 17 168.845 0.622 -5.841 1.00 0.00 N ATOM 257 CA ARG A 17 169.965 0.500 -6.770 1.00 0.00 C ATOM 258 C ARG A 17 170.506 1.874 -7.166 1.00 0.00 C ATOM 259 O ARG A 17 171.712 2.055 -7.320 1.00 0.00 O ATOM 260 CB ARG A 17 169.538 -0.275 -8.019 1.00 0.00 C ATOM 261 CG ARG A 17 168.591 0.495 -8.926 1.00 0.00 C ATOM 262 CD ARG A 17 168.350 -0.244 -10.232 1.00 0.00 C ATOM 263 NE ARG A 17 168.057 -1.659 -10.016 1.00 0.00 N ATOM 264 CZ ARG A 17 168.257 -2.609 -10.927 1.00 0.00 C ATOM 265 NH1 ARG A 17 168.741 -2.300 -12.124 1.00 0.00 N ATOM 266 NH2 ARG A 17 167.968 -3.870 -10.642 1.00 0.00 N ATOM 0 H ARG A 17 168.027 0.067 -6.092 1.00 0.00 H new ATOM 0 HA ARG A 17 170.761 -0.047 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.427 -0.549 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.057 -1.204 -7.712 1.00 0.00 H new ATOM 0 HG2 ARG A 17 167.641 0.651 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.006 1.481 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 17 167.520 0.221 -10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.229 -0.149 -10.869 1.00 0.00 H new ATOM 0 HE ARG A 17 167.676 -1.936 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 17 168.962 -1.330 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 17 168.892 -3.032 -12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 17 167.593 -4.112 -9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 17 168.121 -4.598 -11.339 1.00 0.00 H new ATOM 280 N GLN A 18 169.602 2.835 -7.327 1.00 0.00 N ATOM 281 CA GLN A 18 169.988 4.189 -7.702 1.00 0.00 C ATOM 282 C GLN A 18 170.603 4.930 -6.518 1.00 0.00 C ATOM 283 O GLN A 18 171.701 5.477 -6.617 1.00 0.00 O ATOM 284 CB GLN A 18 168.777 4.960 -8.226 1.00 0.00 C ATOM 285 CG GLN A 18 169.141 6.113 -9.148 1.00 0.00 C ATOM 286 CD GLN A 18 170.009 5.675 -10.313 1.00 0.00 C ATOM 287 OE1 GLN A 18 171.039 6.284 -10.597 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.592 4.614 -10.994 1.00 0.00 N ATOM 0 H GLN A 18 168.598 2.701 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 18 170.736 4.120 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.122 4.272 -8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.210 5.348 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.228 6.570 -9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.665 6.879 -8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.731 4.140 -10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.133 4.273 -11.789 1.00 0.00 H new ATOM 297 N HIS A 19 169.885 4.945 -5.399 1.00 0.00 N ATOM 298 CA HIS A 19 170.357 5.621 -4.196 1.00 0.00 C ATOM 299 C HIS A 19 171.681 5.033 -3.717 1.00 0.00 C ATOM 300 O HIS A 19 172.658 5.755 -3.528 1.00 0.00 O ATOM 301 CB HIS A 19 169.307 5.518 -3.086 1.00 0.00 C ATOM 302 CG HIS A 19 169.117 6.792 -2.322 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.404 7.866 -2.813 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.549 7.160 -1.092 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.408 8.839 -1.919 1.00 0.00 C ATOM 306 NE2 HIS A 19 169.092 8.436 -0.867 1.00 0.00 N ATOM 0 H HIS A 19 168.974 4.497 -5.301 1.00 0.00 H new ATOM 0 HA HIS A 19 170.519 6.671 -4.441 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.354 5.221 -3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 19 169.599 4.728 -2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.142 6.562 -0.415 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.931 9.802 -2.031 1.00 0.00 H new ATOM 0 HE2 HIS A 19 169.256 8.983 -0.022 1.00 0.00 H new ATOM 315 N VAL A 20 171.704 3.718 -3.521 1.00 0.00 N ATOM 316 CA VAL A 20 172.909 3.035 -3.063 1.00 0.00 C ATOM 317 C VAL A 20 174.077 3.288 -4.011 1.00 0.00 C ATOM 318 O VAL A 20 175.189 3.585 -3.574 1.00 0.00 O ATOM 319 CB VAL A 20 172.681 1.516 -2.934 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.938 0.823 -2.427 1.00 0.00 C ATOM 321 CG2 VAL A 20 171.503 1.230 -2.014 1.00 0.00 C ATOM 0 H VAL A 20 170.903 3.105 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 20 173.149 3.441 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 20 172.450 1.120 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.754 -0.248 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 20 174.757 0.998 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.204 1.223 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 20 171.357 0.153 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 20 171.705 1.643 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 20 170.603 1.689 -2.422 1.00 0.00 H new ATOM 331 N ALA A 21 173.816 3.171 -5.308 1.00 0.00 N ATOM 332 CA ALA A 21 174.848 3.389 -6.316 1.00 0.00 C ATOM 333 C ALA A 21 175.290 4.849 -6.338 1.00 0.00 C ATOM 334 O ALA A 21 176.448 5.151 -6.624 1.00 0.00 O ATOM 335 CB ALA A 21 174.343 2.967 -7.687 1.00 0.00 C ATOM 0 H ALA A 21 172.901 2.927 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 21 175.712 2.778 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.123 3.135 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.081 1.909 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.462 3.554 -7.947 1.00 0.00 H new ATOM 341 N ASP A 22 174.361 5.750 -6.033 1.00 0.00 N ATOM 342 CA ASP A 22 174.657 7.177 -6.017 1.00 0.00 C ATOM 343 C ASP A 22 175.773 7.492 -5.025 1.00 0.00 C ATOM 344 O ASP A 22 176.856 7.928 -5.411 1.00 0.00 O ATOM 345 CB ASP A 22 173.400 7.976 -5.662 1.00 0.00 C ATOM 346 CG ASP A 22 173.164 9.136 -6.609 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.118 9.532 -7.312 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.025 9.648 -6.648 1.00 0.00 O ATOM 0 H ASP A 22 173.397 5.516 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 22 174.992 7.464 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.535 7.314 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.489 8.355 -4.644 1.00 0.00 H new ATOM 353 N ARG A 23 175.498 7.266 -3.744 1.00 0.00 N ATOM 354 CA ARG A 23 176.477 7.524 -2.694 1.00 0.00 C ATOM 355 C ARG A 23 177.743 6.698 -2.912 1.00 0.00 C ATOM 356 O ARG A 23 178.855 7.220 -2.848 1.00 0.00 O ATOM 357 CB ARG A 23 175.876 7.212 -1.322 1.00 0.00 C ATOM 358 CG ARG A 23 175.697 8.439 -0.443 1.00 0.00 C ATOM 359 CD ARG A 23 174.502 9.272 -0.882 1.00 0.00 C ATOM 360 NE ARG A 23 173.935 10.040 0.224 1.00 0.00 N ATOM 361 CZ ARG A 23 174.541 11.083 0.788 1.00 0.00 C ATOM 362 NH1 ARG A 23 175.728 11.486 0.353 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.956 11.726 1.791 1.00 0.00 N ATOM 0 H ARG A 23 174.605 6.905 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 23 176.746 8.580 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 23 174.908 6.730 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.518 6.497 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.564 8.129 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.600 9.049 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.807 9.952 -1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 23 173.737 8.617 -1.299 1.00 0.00 H new ATOM 0 HE ARG A 23 173.023 9.761 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 23 176.182 10.996 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 23 176.187 12.286 0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 23 173.043 11.421 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 23 174.419 12.525 2.224 1.00 0.00 H new ATOM 377 N LEU A 24 177.564 5.406 -3.166 1.00 0.00 N ATOM 378 CA LEU A 24 178.689 4.504 -3.390 1.00 0.00 C ATOM 379 C LEU A 24 179.554 4.984 -4.552 1.00 0.00 C ATOM 380 O LEU A 24 180.769 5.132 -4.415 1.00 0.00 O ATOM 381 CB LEU A 24 178.186 3.087 -3.666 1.00 0.00 C ATOM 382 CG LEU A 24 179.275 2.061 -3.990 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.347 2.060 -2.912 1.00 0.00 C ATOM 384 CD2 LEU A 24 178.670 0.675 -4.146 1.00 0.00 C ATOM 0 H LEU A 24 176.649 4.959 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 24 179.300 4.497 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.630 2.740 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 24 177.484 3.124 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 24 179.742 2.341 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.112 1.324 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.801 3.049 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.897 1.806 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 24 179.458 -0.042 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.177 0.387 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 24 177.941 0.685 -4.956 1.00 0.00 H new ATOM 396 N ALA A 25 178.921 5.220 -5.697 1.00 0.00 N ATOM 397 CA ALA A 25 179.633 5.678 -6.884 1.00 0.00 C ATOM 398 C ALA A 25 180.350 6.999 -6.627 1.00 0.00 C ATOM 399 O ALA A 25 181.510 7.168 -7.000 1.00 0.00 O ATOM 400 CB ALA A 25 178.672 5.817 -8.055 1.00 0.00 C ATOM 0 H ALA A 25 177.916 5.101 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 25 180.387 4.931 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.217 6.160 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.213 4.851 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 25 177.896 6.540 -7.805 1.00 0.00 H new ATOM 406 N LYS A 26 179.654 7.934 -5.992 1.00 0.00 N ATOM 407 CA LYS A 26 180.230 9.240 -5.693 1.00 0.00 C ATOM 408 C LYS A 26 181.366 9.118 -4.681 1.00 0.00 C ATOM 409 O LYS A 26 182.363 9.836 -4.764 1.00 0.00 O ATOM 410 CB LYS A 26 179.152 10.187 -5.161 1.00 0.00 C ATOM 411 CG LYS A 26 179.140 11.541 -5.851 1.00 0.00 C ATOM 412 CD LYS A 26 178.452 12.597 -5.000 1.00 0.00 C ATOM 413 CE LYS A 26 179.084 13.965 -5.192 1.00 0.00 C ATOM 414 NZ LYS A 26 179.001 14.422 -6.607 1.00 0.00 N ATOM 0 H LYS A 26 178.692 7.813 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 26 180.637 9.649 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.176 9.718 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.305 10.334 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 26 180.163 11.852 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.629 11.457 -6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 26 177.395 12.644 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 26 178.509 12.313 -3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.586 14.689 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 26 180.129 13.929 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 179.351 15.399 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 179.582 13.802 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 178.012 14.384 -6.927 1.00 0.00 H new ATOM 428 N LEU A 27 181.208 8.210 -3.725 1.00 0.00 N ATOM 429 CA LEU A 27 182.221 8.001 -2.694 1.00 0.00 C ATOM 430 C LEU A 27 183.475 7.344 -3.267 1.00 0.00 C ATOM 431 O LEU A 27 184.520 7.322 -2.617 1.00 0.00 O ATOM 432 CB LEU A 27 181.656 7.140 -1.561 1.00 0.00 C ATOM 433 CG LEU A 27 182.311 7.362 -0.196 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.381 6.910 0.921 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.640 6.627 -0.117 1.00 0.00 C ATOM 0 H LEU A 27 180.390 7.607 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 27 182.499 8.979 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.588 7.338 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 27 181.764 6.090 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 27 182.501 8.428 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.863 7.075 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.454 7.481 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.159 5.849 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.092 6.796 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.474 5.559 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.308 6.998 -0.894 1.00 0.00 H new ATOM 447 N GLU A 28 183.374 6.808 -4.479 1.00 0.00 N ATOM 448 CA GLU A 28 184.515 6.158 -5.115 1.00 0.00 C ATOM 449 C GLU A 28 185.592 7.176 -5.493 1.00 0.00 C ATOM 450 O GLU A 28 186.732 6.807 -5.775 1.00 0.00 O ATOM 451 CB GLU A 28 184.062 5.373 -6.353 1.00 0.00 C ATOM 452 CG GLU A 28 183.951 6.213 -7.618 1.00 0.00 C ATOM 453 CD GLU A 28 185.126 6.011 -8.555 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.169 5.497 -8.099 1.00 0.00 O ATOM 455 OE2 GLU A 28 185.003 6.366 -9.746 1.00 0.00 O ATOM 0 H GLU A 28 182.520 6.810 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 28 184.948 5.462 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.765 4.559 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 28 183.093 4.918 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 28 183.028 5.959 -8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 28 183.884 7.266 -7.346 1.00 0.00 H new ATOM 462 N LYS A 29 185.225 8.455 -5.499 1.00 0.00 N ATOM 463 CA LYS A 29 186.165 9.517 -5.847 1.00 0.00 C ATOM 464 C LYS A 29 186.779 10.156 -4.599 1.00 0.00 C ATOM 465 O LYS A 29 187.496 11.152 -4.695 1.00 0.00 O ATOM 466 CB LYS A 29 185.467 10.584 -6.692 1.00 0.00 C ATOM 467 CG LYS A 29 185.855 10.543 -8.162 1.00 0.00 C ATOM 468 CD LYS A 29 185.098 11.585 -8.968 1.00 0.00 C ATOM 469 CE LYS A 29 185.405 12.993 -8.486 1.00 0.00 C ATOM 470 NZ LYS A 29 185.510 13.957 -9.615 1.00 0.00 N ATOM 0 H LYS A 29 184.286 8.780 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 29 186.972 9.069 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.388 10.456 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.705 11.568 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 29 186.927 10.713 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.651 9.551 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.362 11.494 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 29 184.027 11.398 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 29 184.623 13.320 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 29 186.339 12.989 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 185.720 14.905 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 186.273 13.659 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.610 13.981 -10.136 1.00 0.00 H new ATOM 484 N TRP A 30 186.502 9.578 -3.431 1.00 0.00 N ATOM 485 CA TRP A 30 187.037 10.098 -2.177 1.00 0.00 C ATOM 486 C TRP A 30 188.565 10.082 -2.201 1.00 0.00 C ATOM 487 O TRP A 30 189.174 9.986 -3.266 1.00 0.00 O ATOM 488 CB TRP A 30 186.514 9.272 -0.999 1.00 0.00 C ATOM 489 CG TRP A 30 185.688 10.066 -0.032 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.421 10.532 -0.229 1.00 0.00 C ATOM 491 CD2 TRP A 30 186.073 10.486 1.282 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.993 11.217 0.882 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.988 11.203 1.824 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.227 10.325 2.054 1.00 0.00 C ATOM 495 CZ2 TRP A 30 185.027 11.757 3.102 1.00 0.00 C ATOM 496 CZ3 TRP A 30 187.262 10.875 3.321 1.00 0.00 C ATOM 497 CH2 TRP A 30 186.168 11.584 3.833 1.00 0.00 C ATOM 0 H TRP A 30 185.912 8.752 -3.329 1.00 0.00 H new ATOM 0 HA TRP A 30 186.705 11.129 -2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.916 8.445 -1.382 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.360 8.834 -0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.840 10.384 -1.127 1.00 0.00 H new ATOM 0 HE1 TRP A 30 183.082 11.664 0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.076 9.781 1.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 184.185 12.304 3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 188.148 10.756 3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 30 186.228 12.003 4.827 1.00 0.00 H new ATOM 508 N GLN A 31 189.180 10.173 -1.025 1.00 0.00 N ATOM 509 CA GLN A 31 190.637 10.162 -0.923 1.00 0.00 C ATOM 510 C GLN A 31 191.169 8.732 -0.823 1.00 0.00 C ATOM 511 O GLN A 31 192.136 8.467 -0.108 1.00 0.00 O ATOM 512 CB GLN A 31 191.087 10.969 0.294 1.00 0.00 C ATOM 513 CG GLN A 31 190.746 12.447 0.204 1.00 0.00 C ATOM 514 CD GLN A 31 191.001 13.185 1.505 1.00 0.00 C ATOM 515 OE1 GLN A 31 191.703 14.195 1.531 1.00 0.00 O ATOM 516 NE2 GLN A 31 190.429 12.681 2.592 1.00 0.00 N ATOM 0 H GLN A 31 188.694 10.255 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 31 191.042 10.618 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.623 10.552 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.165 10.860 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 31 191.336 12.904 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 31 189.698 12.558 -0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 31 189.855 11.841 2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 31 190.564 13.134 3.496 1.00 0.00 H new ATOM 525 N THR A 32 190.532 7.818 -1.548 1.00 0.00 N ATOM 526 CA THR A 32 190.936 6.418 -1.548 1.00 0.00 C ATOM 527 C THR A 32 190.779 5.818 -2.943 1.00 0.00 C ATOM 528 O THR A 32 190.627 6.545 -3.925 1.00 0.00 O ATOM 529 CB THR A 32 190.105 5.624 -0.533 1.00 0.00 C ATOM 530 OG1 THR A 32 189.116 6.446 0.062 1.00 0.00 O ATOM 531 CG2 THR A 32 190.937 5.028 0.582 1.00 0.00 C ATOM 0 H THR A 32 189.731 8.024 -2.145 1.00 0.00 H new ATOM 0 HA THR A 32 191.986 6.361 -1.261 1.00 0.00 H new ATOM 0 HB THR A 32 189.652 4.813 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.596 5.919 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 190.289 4.479 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 32 191.678 4.349 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 32 191.444 5.826 1.124 1.00 0.00 H new ATOM 539 N HIS A 33 190.818 4.492 -3.028 1.00 0.00 N ATOM 540 CA HIS A 33 190.681 3.807 -4.310 1.00 0.00 C ATOM 541 C HIS A 33 189.520 2.817 -4.286 1.00 0.00 C ATOM 542 O HIS A 33 188.774 2.702 -5.257 1.00 0.00 O ATOM 543 CB HIS A 33 191.979 3.079 -4.663 1.00 0.00 C ATOM 544 CG HIS A 33 193.087 3.998 -5.074 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.529 4.110 -6.377 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.844 4.854 -4.348 1.00 0.00 C ATOM 547 CE1 HIS A 33 194.510 4.993 -6.431 1.00 0.00 C ATOM 548 NE2 HIS A 33 194.719 5.459 -5.214 1.00 0.00 N ATOM 0 H HIS A 33 190.943 3.872 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 33 190.473 4.559 -5.071 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.303 2.494 -3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.783 2.375 -5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.772 5.028 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.049 5.284 -7.320 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.418 6.156 -4.959 1.00 0.00 H new ATOM 557 N LEU A 34 189.375 2.103 -3.171 1.00 0.00 N ATOM 558 CA LEU A 34 188.307 1.119 -3.023 1.00 0.00 C ATOM 559 C LEU A 34 188.455 0.004 -4.055 1.00 0.00 C ATOM 560 O LEU A 34 188.748 0.262 -5.224 1.00 0.00 O ATOM 561 CB LEU A 34 186.934 1.784 -3.161 1.00 0.00 C ATOM 562 CG LEU A 34 186.504 2.663 -1.981 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.837 1.993 -0.655 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.161 4.031 -2.068 1.00 0.00 C ATOM 0 H LEU A 34 189.984 2.188 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 34 188.385 0.685 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.934 2.394 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.185 1.005 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 34 185.423 2.795 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.522 2.636 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.315 1.038 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.912 1.824 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.844 4.641 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.245 3.916 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.866 4.518 -2.997 1.00 0.00 H new ATOM 576 N ILE A 35 188.259 -1.236 -3.618 1.00 0.00 N ATOM 577 CA ILE A 35 188.383 -2.384 -4.512 1.00 0.00 C ATOM 578 C ILE A 35 187.175 -3.305 -4.407 1.00 0.00 C ATOM 579 O ILE A 35 186.495 -3.573 -5.400 1.00 0.00 O ATOM 580 CB ILE A 35 189.651 -3.218 -4.217 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.803 -2.333 -3.727 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.069 -3.994 -5.457 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.410 -2.804 -2.424 1.00 0.00 C ATOM 0 H ILE A 35 188.015 -1.472 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 35 188.450 -1.971 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 35 189.412 -3.922 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.579 -2.304 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.440 -1.313 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.963 -4.577 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.263 -4.664 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.281 -3.297 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.219 -2.133 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 35 190.646 -2.806 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.803 -3.813 -2.549 1.00 0.00 H new ATOM 595 N ASN A 36 186.928 -3.808 -3.201 1.00 0.00 N ATOM 596 CA ASN A 36 185.818 -4.724 -2.963 1.00 0.00 C ATOM 597 C ASN A 36 184.707 -4.070 -2.141 1.00 0.00 C ATOM 598 O ASN A 36 184.729 -4.109 -0.911 1.00 0.00 O ATOM 599 CB ASN A 36 186.331 -5.974 -2.247 1.00 0.00 C ATOM 600 CG ASN A 36 186.592 -7.121 -3.202 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.873 -7.303 -4.183 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.625 -7.904 -2.915 1.00 0.00 N ATOM 0 H ASN A 36 187.483 -3.596 -2.372 1.00 0.00 H new ATOM 0 HA ASN A 36 185.394 -4.997 -3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.251 -5.732 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.602 -6.286 -1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.849 -8.694 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.194 -7.715 -2.090 1.00 0.00 H new ATOM 609 N PRO A 37 183.712 -3.466 -2.814 1.00 0.00 N ATOM 610 CA PRO A 37 182.586 -2.813 -2.149 1.00 0.00 C ATOM 611 C PRO A 37 181.471 -3.796 -1.805 1.00 0.00 C ATOM 612 O PRO A 37 180.611 -4.089 -2.636 1.00 0.00 O ATOM 613 CB PRO A 37 182.113 -1.819 -3.203 1.00 0.00 C ATOM 614 CG PRO A 37 182.399 -2.489 -4.505 1.00 0.00 C ATOM 615 CD PRO A 37 183.602 -3.377 -4.282 1.00 0.00 C ATOM 0 HA PRO A 37 182.866 -2.360 -1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.051 -1.601 -3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.643 -0.870 -3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.541 -3.075 -4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.600 -1.753 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.462 -4.360 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.502 -2.949 -4.725 1.00 0.00 H new ATOM 623 N HIS A 38 181.490 -4.303 -0.576 1.00 0.00 N ATOM 624 CA HIS A 38 180.479 -5.255 -0.130 1.00 0.00 C ATOM 625 C HIS A 38 179.261 -4.530 0.436 1.00 0.00 C ATOM 626 O HIS A 38 179.266 -4.091 1.586 1.00 0.00 O ATOM 627 CB HIS A 38 181.067 -6.199 0.923 1.00 0.00 C ATOM 628 CG HIS A 38 181.077 -7.634 0.498 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.235 -8.366 0.350 1.00 0.00 N ATOM 630 CD2 HIS A 38 180.060 -8.474 0.191 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.931 -9.595 -0.032 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.618 -9.685 -0.134 1.00 0.00 N ATOM 0 H HIS A 38 182.192 -4.071 0.127 1.00 0.00 H new ATOM 0 HA HIS A 38 180.159 -5.841 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.087 -5.888 1.149 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.493 -6.105 1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 38 179.007 -8.235 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.636 -10.389 -0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 38 180.101 -10.520 -0.410 1.00 0.00 H new ATOM 641 N ILE A 39 178.220 -4.410 -0.380 1.00 0.00 N ATOM 642 CA ILE A 39 176.994 -3.740 0.037 1.00 0.00 C ATOM 643 C ILE A 39 175.959 -4.745 0.532 1.00 0.00 C ATOM 644 O ILE A 39 175.386 -5.499 -0.254 1.00 0.00 O ATOM 645 CB ILE A 39 176.382 -2.920 -1.116 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.447 -2.027 -1.756 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.214 -2.084 -0.612 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.984 -0.962 -0.825 1.00 0.00 C ATOM 0 H ILE A 39 178.201 -4.768 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 39 177.263 -3.067 0.851 1.00 0.00 H new ATOM 0 HB ILE A 39 176.009 -3.609 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.274 -2.650 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.024 -1.547 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.793 -1.511 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.448 -2.740 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.563 -1.401 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.734 -0.368 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 39 177.168 -0.315 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.437 -1.435 0.046 1.00 0.00 H new ATOM 660 N ILE A 40 175.725 -4.750 1.840 1.00 0.00 N ATOM 661 CA ILE A 40 174.758 -5.665 2.439 1.00 0.00 C ATOM 662 C ILE A 40 173.482 -4.931 2.836 1.00 0.00 C ATOM 663 O ILE A 40 173.397 -4.353 3.919 1.00 0.00 O ATOM 664 CB ILE A 40 175.341 -6.367 3.679 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.725 -6.939 3.367 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.403 -7.468 4.155 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.508 -7.336 4.600 1.00 0.00 C ATOM 0 H ILE A 40 176.190 -4.132 2.505 1.00 0.00 H new ATOM 0 HA ILE A 40 174.523 -6.416 1.685 1.00 0.00 H new ATOM 0 HB ILE A 40 175.444 -5.632 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.612 -7.811 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.297 -6.200 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.829 -7.955 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.436 -7.036 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.271 -8.202 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.479 -7.733 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.653 -6.463 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.957 -8.099 5.151 1.00 0.00 H new ATOM 679 N LEU A 41 172.489 -4.964 1.954 1.00 0.00 N ATOM 680 CA LEU A 41 171.213 -4.306 2.211 1.00 0.00 C ATOM 681 C LEU A 41 170.157 -5.328 2.622 1.00 0.00 C ATOM 682 O LEU A 41 169.589 -6.021 1.778 1.00 0.00 O ATOM 683 CB LEU A 41 170.759 -3.541 0.962 1.00 0.00 C ATOM 684 CG LEU A 41 169.306 -3.056 0.975 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.238 -1.591 1.375 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.664 -3.271 -0.389 1.00 0.00 C ATOM 0 H LEU A 41 172.543 -5.440 1.054 1.00 0.00 H new ATOM 0 HA LEU A 41 171.342 -3.599 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.410 -2.677 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.901 -4.183 0.093 1.00 0.00 H new ATOM 0 HG LEU A 41 168.752 -3.637 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.199 -1.263 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.662 -1.466 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.805 -0.992 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.632 -2.922 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.218 -2.713 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.682 -4.332 -0.636 1.00 0.00 H new ATOM 698 N SER A 42 169.904 -5.423 3.924 1.00 0.00 N ATOM 699 CA SER A 42 168.924 -6.372 4.440 1.00 0.00 C ATOM 700 C SER A 42 167.721 -5.654 5.043 1.00 0.00 C ATOM 701 O SER A 42 167.822 -4.511 5.487 1.00 0.00 O ATOM 702 CB SER A 42 169.570 -7.275 5.491 1.00 0.00 C ATOM 703 OG SER A 42 170.813 -7.780 5.034 1.00 0.00 O ATOM 0 H SER A 42 170.362 -4.857 4.638 1.00 0.00 H new ATOM 0 HA SER A 42 168.574 -6.980 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.719 -6.715 6.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.901 -8.103 5.724 1.00 0.00 H new ATOM 0 HG SER A 42 171.322 -8.134 5.793 1.00 0.00 H new ATOM 709 N LYS A 43 166.583 -6.341 5.058 1.00 0.00 N ATOM 710 CA LYS A 43 165.353 -5.784 5.611 1.00 0.00 C ATOM 711 C LYS A 43 165.002 -6.468 6.928 1.00 0.00 C ATOM 712 O LYS A 43 164.347 -7.510 6.941 1.00 0.00 O ATOM 713 CB LYS A 43 164.205 -5.949 4.610 1.00 0.00 C ATOM 714 CG LYS A 43 162.859 -5.462 5.126 1.00 0.00 C ATOM 715 CD LYS A 43 161.733 -6.402 4.724 1.00 0.00 C ATOM 716 CE LYS A 43 161.223 -7.206 5.910 1.00 0.00 C ATOM 717 NZ LYS A 43 160.158 -8.167 5.512 1.00 0.00 N ATOM 0 H LYS A 43 166.487 -7.288 4.692 1.00 0.00 H new ATOM 0 HA LYS A 43 165.508 -4.722 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.451 -5.405 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.120 -7.002 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.894 -5.378 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.658 -4.464 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 43 160.913 -5.826 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.085 -7.081 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.052 -7.750 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.834 -6.527 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.837 -8.695 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 159.356 -7.647 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.536 -8.831 4.807 1.00 0.00 H new ATOM 731 N GLU A 44 165.440 -5.878 8.036 1.00 0.00 N ATOM 732 CA GLU A 44 165.168 -6.436 9.354 1.00 0.00 C ATOM 733 C GLU A 44 163.807 -5.966 9.865 1.00 0.00 C ATOM 734 O GLU A 44 163.441 -4.802 9.699 1.00 0.00 O ATOM 735 CB GLU A 44 166.280 -6.040 10.336 1.00 0.00 C ATOM 736 CG GLU A 44 165.897 -6.173 11.804 1.00 0.00 C ATOM 737 CD GLU A 44 167.096 -6.414 12.701 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.228 -6.104 12.274 1.00 0.00 O ATOM 739 OE2 GLU A 44 166.901 -6.909 13.830 1.00 0.00 O ATOM 0 H GLU A 44 165.984 -5.015 8.046 1.00 0.00 H new ATOM 0 HA GLU A 44 165.145 -7.523 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.156 -6.660 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.571 -5.008 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 44 165.384 -5.266 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 44 165.191 -6.996 11.918 1.00 0.00 H new ATOM 746 N PRO A 45 163.032 -6.872 10.489 1.00 0.00 N ATOM 747 CA PRO A 45 161.708 -6.562 11.022 1.00 0.00 C ATOM 748 C PRO A 45 161.620 -5.169 11.635 1.00 0.00 C ATOM 749 O PRO A 45 160.708 -4.398 11.327 1.00 0.00 O ATOM 750 CB PRO A 45 161.506 -7.620 12.119 1.00 0.00 C ATOM 751 CG PRO A 45 162.647 -8.589 12.002 1.00 0.00 C ATOM 752 CD PRO A 45 163.373 -8.275 10.722 1.00 0.00 C ATOM 0 HA PRO A 45 160.955 -6.576 10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.492 -7.156 13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.551 -8.130 11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.318 -8.497 12.856 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.280 -9.615 11.993 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.449 -8.418 10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.042 -8.913 9.903 1.00 0.00 H new ATOM 760 N GLN A 46 162.550 -4.869 12.530 1.00 0.00 N ATOM 761 CA GLN A 46 162.559 -3.588 13.222 1.00 0.00 C ATOM 762 C GLN A 46 163.601 -2.623 12.654 1.00 0.00 C ATOM 763 O GLN A 46 164.337 -1.987 13.409 1.00 0.00 O ATOM 764 CB GLN A 46 162.819 -3.822 14.709 1.00 0.00 C ATOM 765 CG GLN A 46 162.098 -2.839 15.618 1.00 0.00 C ATOM 766 CD GLN A 46 160.600 -2.808 15.373 1.00 0.00 C ATOM 767 OE1 GLN A 46 159.994 -1.739 15.300 1.00 0.00 O ATOM 768 NE2 GLN A 46 159.997 -3.983 15.245 1.00 0.00 N ATOM 0 H GLN A 46 163.310 -5.496 12.794 1.00 0.00 H new ATOM 0 HA GLN A 46 161.584 -3.124 13.076 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.511 -4.835 14.968 1.00 0.00 H new ATOM 0 HB3 GLN A 46 163.891 -3.757 14.896 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.287 -3.106 16.658 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.508 -1.841 15.465 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.539 -4.844 15.313 1.00 0.00 H new ATOM 0 HE22 GLN A 46 158.991 -4.025 15.079 1.00 0.00 H new ATOM 777 N GLY A 47 163.653 -2.497 11.330 1.00 0.00 N ATOM 778 CA GLY A 47 164.604 -1.582 10.723 1.00 0.00 C ATOM 779 C GLY A 47 165.371 -2.181 9.558 1.00 0.00 C ATOM 780 O GLY A 47 165.364 -3.392 9.352 1.00 0.00 O ATOM 0 H GLY A 47 163.061 -3.006 10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.072 -0.695 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.313 -1.253 11.482 1.00 0.00 H new ATOM 784 N PHE A 48 166.045 -1.318 8.804 1.00 0.00 N ATOM 785 CA PHE A 48 166.843 -1.744 7.658 1.00 0.00 C ATOM 786 C PHE A 48 168.299 -1.917 8.075 1.00 0.00 C ATOM 787 O PHE A 48 168.870 -1.039 8.723 1.00 0.00 O ATOM 788 CB PHE A 48 166.754 -0.702 6.536 1.00 0.00 C ATOM 789 CG PHE A 48 166.160 -1.197 5.245 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.269 -2.260 5.216 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.496 -0.580 4.051 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.727 -2.692 4.021 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.957 -1.009 2.854 1.00 0.00 C ATOM 794 CZ PHE A 48 165.070 -2.066 2.840 1.00 0.00 C ATOM 0 H PHE A 48 166.054 -0.311 8.968 1.00 0.00 H new ATOM 0 HA PHE A 48 166.454 -2.695 7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.160 0.140 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.756 -0.323 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.996 -2.755 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.189 0.248 4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 48 164.034 -3.520 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 48 166.229 -0.518 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.645 -2.403 1.906 1.00 0.00 H new ATOM 804 N VAL A 49 168.892 -3.045 7.698 1.00 0.00 N ATOM 805 CA VAL A 49 170.283 -3.325 8.032 1.00 0.00 C ATOM 806 C VAL A 49 171.177 -3.181 6.806 1.00 0.00 C ATOM 807 O VAL A 49 171.363 -4.130 6.044 1.00 0.00 O ATOM 808 CB VAL A 49 170.448 -4.742 8.614 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.866 -4.949 9.125 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.432 -4.985 9.720 1.00 0.00 C ATOM 0 H VAL A 49 168.431 -3.780 7.161 1.00 0.00 H new ATOM 0 HA VAL A 49 170.583 -2.597 8.786 1.00 0.00 H new ATOM 0 HB VAL A 49 170.266 -5.466 7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.963 -5.955 9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.571 -4.820 8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.082 -4.220 9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.563 -5.991 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.580 -4.256 10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.424 -4.883 9.317 1.00 0.00 H new ATOM 820 N ALA A 50 171.725 -1.984 6.615 1.00 0.00 N ATOM 821 CA ALA A 50 172.595 -1.711 5.478 1.00 0.00 C ATOM 822 C ALA A 50 174.062 -1.686 5.896 1.00 0.00 C ATOM 823 O ALA A 50 174.546 -0.688 6.429 1.00 0.00 O ATOM 824 CB ALA A 50 172.208 -0.392 4.827 1.00 0.00 C ATOM 0 H ALA A 50 171.581 -1.187 7.235 1.00 0.00 H new ATOM 0 HA ALA A 50 172.468 -2.516 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.865 -0.198 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.176 -0.446 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.306 0.415 5.553 1.00 0.00 H new ATOM 830 N ASP A 51 174.764 -2.786 5.645 1.00 0.00 N ATOM 831 CA ASP A 51 176.177 -2.885 5.992 1.00 0.00 C ATOM 832 C ASP A 51 177.043 -2.853 4.737 1.00 0.00 C ATOM 833 O ASP A 51 177.080 -3.816 3.971 1.00 0.00 O ATOM 834 CB ASP A 51 176.445 -4.171 6.779 1.00 0.00 C ATOM 835 CG ASP A 51 175.841 -4.134 8.168 1.00 0.00 C ATOM 836 OD1 ASP A 51 174.874 -3.370 8.377 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.334 -4.870 9.049 1.00 0.00 O ATOM 0 H ASP A 51 174.378 -3.620 5.203 1.00 0.00 H new ATOM 0 HA ASP A 51 176.435 -2.029 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 51 176.038 -5.021 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.521 -4.328 6.857 1.00 0.00 H new ATOM 842 N ALA A 52 177.735 -1.737 4.528 1.00 0.00 N ATOM 843 CA ALA A 52 178.593 -1.580 3.358 1.00 0.00 C ATOM 844 C ALA A 52 180.064 -1.776 3.713 1.00 0.00 C ATOM 845 O ALA A 52 180.745 -0.836 4.119 1.00 0.00 O ATOM 846 CB ALA A 52 178.379 -0.209 2.735 1.00 0.00 C ATOM 0 H ALA A 52 177.719 -0.930 5.152 1.00 0.00 H new ATOM 0 HA ALA A 52 178.321 -2.349 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.024 -0.101 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.337 -0.106 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.623 0.564 3.464 1.00 0.00 H new ATOM 852 N THR A 53 180.549 -3.002 3.541 1.00 0.00 N ATOM 853 CA THR A 53 181.940 -3.326 3.828 1.00 0.00 C ATOM 854 C THR A 53 182.808 -3.075 2.601 1.00 0.00 C ATOM 855 O THR A 53 182.810 -3.866 1.658 1.00 0.00 O ATOM 856 CB THR A 53 182.068 -4.787 4.271 1.00 0.00 C ATOM 857 OG1 THR A 53 180.903 -5.518 3.931 1.00 0.00 O ATOM 858 CG2 THR A 53 182.286 -4.944 5.762 1.00 0.00 C ATOM 0 H THR A 53 179.996 -3.789 3.203 1.00 0.00 H new ATOM 0 HA THR A 53 182.283 -2.682 4.638 1.00 0.00 H new ATOM 0 HB THR A 53 182.944 -5.171 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.005 -6.449 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.368 -6.003 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.204 -4.432 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 53 181.443 -4.511 6.301 1.00 0.00 H new ATOM 866 N ILE A 54 183.531 -1.962 2.610 1.00 0.00 N ATOM 867 CA ILE A 54 184.389 -1.601 1.488 1.00 0.00 C ATOM 868 C ILE A 54 185.863 -1.774 1.836 1.00 0.00 C ATOM 869 O ILE A 54 186.325 -1.300 2.874 1.00 0.00 O ATOM 870 CB ILE A 54 184.150 -0.143 1.041 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.712 0.286 1.349 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.445 0.006 -0.444 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.392 1.699 0.915 1.00 0.00 C ATOM 0 H ILE A 54 183.541 -1.294 3.381 1.00 0.00 H new ATOM 0 HA ILE A 54 184.131 -2.274 0.671 1.00 0.00 H new ATOM 0 HB ILE A 54 184.826 0.506 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.024 -0.401 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.537 0.197 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.273 1.039 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.484 -0.260 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.790 -0.653 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.357 1.931 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.055 2.396 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.533 1.790 -0.162 1.00 0.00 H new ATOM 885 N ASN A 55 186.593 -2.454 0.961 1.00 0.00 N ATOM 886 CA ASN A 55 188.017 -2.690 1.172 1.00 0.00 C ATOM 887 C ASN A 55 188.848 -1.590 0.519 1.00 0.00 C ATOM 888 O ASN A 55 189.073 -1.602 -0.690 1.00 0.00 O ATOM 889 CB ASN A 55 188.417 -4.057 0.608 1.00 0.00 C ATOM 890 CG ASN A 55 189.897 -4.344 0.768 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.551 -4.826 -0.157 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.435 -4.051 1.946 1.00 0.00 N ATOM 0 H ASN A 55 186.223 -2.852 0.098 1.00 0.00 H new ATOM 0 HA ASN A 55 188.211 -2.679 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.843 -4.835 1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.155 -4.101 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.427 -4.224 2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.857 -3.653 2.686 1.00 0.00 H new ATOM 899 N THR A 56 189.303 -0.642 1.332 1.00 0.00 N ATOM 900 CA THR A 56 190.113 0.467 0.836 1.00 0.00 C ATOM 901 C THR A 56 191.598 0.120 0.896 1.00 0.00 C ATOM 902 O THR A 56 192.013 -0.725 1.687 1.00 0.00 O ATOM 903 CB THR A 56 189.839 1.734 1.653 1.00 0.00 C ATOM 904 OG1 THR A 56 190.585 1.725 2.857 1.00 0.00 O ATOM 905 CG2 THR A 56 188.380 1.911 2.021 1.00 0.00 C ATOM 0 H THR A 56 189.125 -0.619 2.336 1.00 0.00 H new ATOM 0 HA THR A 56 189.840 0.649 -0.203 1.00 0.00 H new ATOM 0 HB THR A 56 190.136 2.560 1.007 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.398 2.543 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.259 2.828 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.781 1.972 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.049 1.060 2.617 1.00 0.00 H new ATOM 913 N PRO A 57 192.423 0.771 0.059 1.00 0.00 N ATOM 914 CA PRO A 57 193.869 0.525 0.028 1.00 0.00 C ATOM 915 C PRO A 57 194.519 0.736 1.393 1.00 0.00 C ATOM 916 O PRO A 57 195.615 0.234 1.650 1.00 0.00 O ATOM 917 CB PRO A 57 194.396 1.554 -0.984 1.00 0.00 C ATOM 918 CG PRO A 57 193.298 2.551 -1.141 1.00 0.00 C ATOM 919 CD PRO A 57 192.022 1.795 -0.915 1.00 0.00 C ATOM 0 HA PRO A 57 194.098 -0.506 -0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.309 2.028 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.637 1.081 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.403 3.364 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.316 2.999 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.233 2.439 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.645 1.352 -1.837 1.00 0.00 H new ATOM 927 N ASN A 58 193.842 1.480 2.263 1.00 0.00 N ATOM 928 CA ASN A 58 194.359 1.754 3.598 1.00 0.00 C ATOM 929 C ASN A 58 193.612 0.947 4.660 1.00 0.00 C ATOM 930 O ASN A 58 193.615 1.307 5.837 1.00 0.00 O ATOM 931 CB ASN A 58 194.254 3.247 3.911 1.00 0.00 C ATOM 932 CG ASN A 58 195.293 4.068 3.172 1.00 0.00 C ATOM 933 OD1 ASN A 58 196.421 3.623 2.966 1.00 0.00 O ATOM 934 ND2 ASN A 58 194.915 5.275 2.768 1.00 0.00 N ATOM 0 H ASN A 58 192.935 1.903 2.067 1.00 0.00 H new ATOM 0 HA ASN A 58 195.407 1.455 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.258 3.602 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.371 3.399 4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 58 195.571 5.873 2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 58 193.969 5.604 2.960 1.00 0.00 H new ATOM 941 N GLY A 59 192.977 -0.145 4.241 1.00 0.00 N ATOM 942 CA GLY A 59 192.242 -0.976 5.177 1.00 0.00 C ATOM 943 C GLY A 59 190.846 -1.314 4.694 1.00 0.00 C ATOM 944 O GLY A 59 190.646 -1.634 3.522 1.00 0.00 O ATOM 0 H GLY A 59 192.959 -0.468 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.796 -1.899 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 192.175 -0.462 6.136 1.00 0.00 H new ATOM 948 N VAL A 60 189.877 -1.248 5.601 1.00 0.00 N ATOM 949 CA VAL A 60 188.494 -1.556 5.264 1.00 0.00 C ATOM 950 C VAL A 60 187.534 -0.565 5.918 1.00 0.00 C ATOM 951 O VAL A 60 187.573 -0.354 7.131 1.00 0.00 O ATOM 952 CB VAL A 60 188.135 -3.009 5.672 1.00 0.00 C ATOM 953 CG1 VAL A 60 187.232 -3.049 6.900 1.00 0.00 C ATOM 954 CG2 VAL A 60 187.491 -3.744 4.507 1.00 0.00 C ATOM 0 H VAL A 60 190.025 -0.984 6.575 1.00 0.00 H new ATOM 0 HA VAL A 60 188.389 -1.467 4.183 1.00 0.00 H new ATOM 0 HB VAL A 60 189.064 -3.515 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 60 187.005 -4.085 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 60 187.739 -2.575 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.305 -2.516 6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 60 187.245 -4.762 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 60 186.581 -3.225 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 60 188.185 -3.773 3.667 1.00 0.00 H new ATOM 964 N LEU A 61 186.677 0.039 5.104 1.00 0.00 N ATOM 965 CA LEU A 61 185.706 1.008 5.594 1.00 0.00 C ATOM 966 C LEU A 61 184.297 0.428 5.536 1.00 0.00 C ATOM 967 O LEU A 61 183.629 0.500 4.505 1.00 0.00 O ATOM 968 CB LEU A 61 185.777 2.290 4.761 1.00 0.00 C ATOM 969 CG LEU A 61 186.815 3.322 5.218 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.258 4.176 6.346 1.00 0.00 C ATOM 971 CD2 LEU A 61 188.105 2.638 5.654 1.00 0.00 C ATOM 0 H LEU A 61 186.635 -0.126 4.098 1.00 0.00 H new ATOM 0 HA LEU A 61 185.944 1.243 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.992 2.019 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.794 2.762 4.769 1.00 0.00 H new ATOM 0 HG LEU A 61 187.043 3.971 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.009 4.902 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.367 4.700 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.998 3.538 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.826 3.391 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.896 1.961 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 61 188.517 2.073 4.818 1.00 0.00 H new ATOM 983 N VAL A 62 183.854 -0.161 6.643 1.00 0.00 N ATOM 984 CA VAL A 62 182.528 -0.763 6.702 1.00 0.00 C ATOM 985 C VAL A 62 181.491 0.239 7.206 1.00 0.00 C ATOM 986 O VAL A 62 181.597 0.758 8.318 1.00 0.00 O ATOM 987 CB VAL A 62 182.511 -2.048 7.577 1.00 0.00 C ATOM 988 CG1 VAL A 62 183.899 -2.669 7.656 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.973 -1.775 8.975 1.00 0.00 C ATOM 0 H VAL A 62 184.392 -0.234 7.507 1.00 0.00 H new ATOM 0 HA VAL A 62 182.265 -1.052 5.685 1.00 0.00 H new ATOM 0 HB VAL A 62 181.837 -2.756 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 62 183.861 -3.566 8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 62 184.238 -2.932 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 62 184.593 -1.954 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.978 -2.699 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 62 182.602 -1.034 9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 62 180.953 -1.396 8.905 1.00 0.00 H new ATOM 999 N ALA A 63 180.499 0.520 6.368 1.00 0.00 N ATOM 1000 CA ALA A 63 179.450 1.468 6.717 1.00 0.00 C ATOM 1001 C ALA A 63 178.230 0.758 7.299 1.00 0.00 C ATOM 1002 O ALA A 63 177.675 -0.148 6.679 1.00 0.00 O ATOM 1003 CB ALA A 63 179.055 2.275 5.492 1.00 0.00 C ATOM 0 H ALA A 63 180.400 0.104 5.442 1.00 0.00 H new ATOM 0 HA ALA A 63 179.839 2.140 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.270 2.982 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.923 2.820 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.689 1.603 4.716 1.00 0.00 H new ATOM 1009 N SER A 64 177.821 1.176 8.493 1.00 0.00 N ATOM 1010 CA SER A 64 176.670 0.577 9.159 1.00 0.00 C ATOM 1011 C SER A 64 175.489 1.545 9.186 1.00 0.00 C ATOM 1012 O SER A 64 175.635 2.707 9.566 1.00 0.00 O ATOM 1013 CB SER A 64 177.037 0.162 10.585 1.00 0.00 C ATOM 1014 OG SER A 64 178.167 0.879 11.051 1.00 0.00 O ATOM 0 H SER A 64 178.269 1.927 9.019 1.00 0.00 H new ATOM 0 HA SER A 64 176.377 -0.308 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.191 0.341 11.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 177.244 -0.908 10.614 1.00 0.00 H new ATOM 0 HG SER A 64 178.380 0.596 11.965 1.00 0.00 H new ATOM 1020 N GLY A 65 174.320 1.055 8.785 1.00 0.00 N ATOM 1021 CA GLY A 65 173.131 1.887 8.774 1.00 0.00 C ATOM 1022 C GLY A 65 171.898 1.139 9.247 1.00 0.00 C ATOM 1023 O GLY A 65 171.512 0.131 8.654 1.00 0.00 O ATOM 0 H GLY A 65 174.175 0.097 8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.293 2.756 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.961 2.260 7.764 1.00 0.00 H new ATOM 1027 N LYS A 66 171.283 1.628 10.319 1.00 0.00 N ATOM 1028 CA LYS A 66 170.090 0.996 10.872 1.00 0.00 C ATOM 1029 C LYS A 66 168.932 1.985 10.950 1.00 0.00 C ATOM 1030 O LYS A 66 168.996 2.973 11.682 1.00 0.00 O ATOM 1031 CB LYS A 66 170.388 0.427 12.262 1.00 0.00 C ATOM 1032 CG LYS A 66 170.638 -1.072 12.265 1.00 0.00 C ATOM 1033 CD LYS A 66 172.059 -1.404 12.689 1.00 0.00 C ATOM 1034 CE LYS A 66 172.233 -2.894 12.939 1.00 0.00 C ATOM 1035 NZ LYS A 66 171.144 -3.444 13.792 1.00 0.00 N ATOM 0 H LYS A 66 171.591 2.460 10.822 1.00 0.00 H new ATOM 0 HA LYS A 66 169.800 0.182 10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.261 0.933 12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.550 0.649 12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 66 169.934 -1.557 12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.452 -1.474 11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 66 172.755 -1.080 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.308 -0.851 13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.250 -3.423 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 66 173.195 -3.072 13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 171.467 -4.323 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 170.893 -2.750 14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 170.309 -3.643 13.204 1.00 0.00 H new ATOM 1049 N HIS A 67 167.872 1.715 10.192 1.00 0.00 N ATOM 1050 CA HIS A 67 166.699 2.588 10.184 1.00 0.00 C ATOM 1051 C HIS A 67 165.599 2.028 9.286 1.00 0.00 C ATOM 1052 O HIS A 67 165.832 1.737 8.116 1.00 0.00 O ATOM 1053 CB HIS A 67 167.087 3.994 9.720 1.00 0.00 C ATOM 1054 CG HIS A 67 166.320 5.082 10.407 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.798 5.758 11.511 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.103 5.612 10.143 1.00 0.00 C ATOM 1057 CE1 HIS A 67 165.906 6.655 11.895 1.00 0.00 C ATOM 1058 NE2 HIS A 67 164.870 6.587 11.082 1.00 0.00 N ATOM 0 H HIS A 67 167.800 0.904 9.578 1.00 0.00 H new ATOM 0 HA HIS A 67 166.314 2.640 11.202 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.152 4.145 9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.927 4.070 8.645 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.438 5.322 9.343 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.008 7.329 12.733 1.00 0.00 H new ATOM 0 HE2 HIS A 67 164.032 7.165 11.141 1.00 0.00 H new ATOM 1067 N GLU A 68 164.399 1.881 9.847 1.00 0.00 N ATOM 1068 CA GLU A 68 163.254 1.350 9.106 1.00 0.00 C ATOM 1069 C GLU A 68 163.146 1.965 7.712 1.00 0.00 C ATOM 1070 O GLU A 68 162.661 1.323 6.780 1.00 0.00 O ATOM 1071 CB GLU A 68 161.959 1.593 9.885 1.00 0.00 C ATOM 1072 CG GLU A 68 161.620 3.062 10.067 1.00 0.00 C ATOM 1073 CD GLU A 68 160.138 3.343 9.909 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.327 2.604 10.505 1.00 0.00 O ATOM 1075 OE2 GLU A 68 159.789 4.301 9.188 1.00 0.00 O ATOM 0 H GLU A 68 164.194 2.123 10.816 1.00 0.00 H new ATOM 0 HA GLU A 68 163.410 0.278 8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.136 1.101 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.043 1.125 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 68 161.944 3.386 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.177 3.652 9.340 1.00 0.00 H new ATOM 1082 N ASP A 69 163.601 3.205 7.573 1.00 0.00 N ATOM 1083 CA ASP A 69 163.550 3.888 6.286 1.00 0.00 C ATOM 1084 C ASP A 69 164.726 3.474 5.407 1.00 0.00 C ATOM 1085 O ASP A 69 165.879 3.508 5.835 1.00 0.00 O ATOM 1086 CB ASP A 69 163.550 5.405 6.483 1.00 0.00 C ATOM 1087 CG ASP A 69 162.155 5.994 6.418 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.197 5.303 6.824 1.00 0.00 O ATOM 1089 OD2 ASP A 69 162.019 7.149 5.960 1.00 0.00 O ATOM 0 H ASP A 69 164.007 3.755 8.330 1.00 0.00 H new ATOM 0 HA ASP A 69 162.625 3.599 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.998 5.644 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.174 5.868 5.718 1.00 0.00 H new ATOM 1094 N MET A 70 164.421 3.082 4.174 1.00 0.00 N ATOM 1095 CA MET A 70 165.445 2.659 3.226 1.00 0.00 C ATOM 1096 C MET A 70 166.496 3.752 3.034 1.00 0.00 C ATOM 1097 O MET A 70 167.662 3.574 3.385 1.00 0.00 O ATOM 1098 CB MET A 70 164.793 2.293 1.886 1.00 0.00 C ATOM 1099 CG MET A 70 165.775 2.091 0.739 1.00 0.00 C ATOM 1100 SD MET A 70 165.285 2.978 -0.754 1.00 0.00 S ATOM 1101 CE MET A 70 163.683 2.242 -1.074 1.00 0.00 C ATOM 0 H MET A 70 163.470 3.049 3.807 1.00 0.00 H new ATOM 0 HA MET A 70 165.949 1.779 3.626 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.213 1.379 2.016 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.090 3.080 1.612 1.00 0.00 H new ATOM 0 HG2 MET A 70 166.765 2.427 1.049 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.855 1.027 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 70 163.289 2.623 -2.017 1.00 0.00 H new ATOM 0 HE2 MET A 70 163.786 1.159 -1.135 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.998 2.497 -0.266 1.00 0.00 H new ATOM 1111 N TYR A 71 166.073 4.880 2.475 1.00 0.00 N ATOM 1112 CA TYR A 71 166.977 6.000 2.231 1.00 0.00 C ATOM 1113 C TYR A 71 167.638 6.470 3.524 1.00 0.00 C ATOM 1114 O TYR A 71 168.826 6.794 3.538 1.00 0.00 O ATOM 1115 CB TYR A 71 166.226 7.158 1.570 1.00 0.00 C ATOM 1116 CG TYR A 71 166.030 6.996 0.074 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.519 5.883 -0.606 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.350 7.961 -0.660 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.340 5.740 -1.966 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.167 7.823 -2.022 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.664 6.712 -2.671 1.00 0.00 C ATOM 1122 OH TYR A 71 165.481 6.573 -4.028 1.00 0.00 O ATOM 0 H TYR A 71 165.110 5.044 2.182 1.00 0.00 H new ATOM 0 HA TYR A 71 167.761 5.656 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.250 7.262 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.771 8.084 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.048 5.118 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.958 8.833 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.728 4.870 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.636 8.583 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 71 165.917 5.750 -4.334 1.00 0.00 H new ATOM 1132 N THR A 72 166.873 6.500 4.610 1.00 0.00 N ATOM 1133 CA THR A 72 167.408 6.923 5.899 1.00 0.00 C ATOM 1134 C THR A 72 168.584 6.040 6.299 1.00 0.00 C ATOM 1135 O THR A 72 169.570 6.516 6.861 1.00 0.00 O ATOM 1136 CB THR A 72 166.327 6.868 6.977 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.183 7.603 6.577 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.782 7.417 8.311 1.00 0.00 C ATOM 0 H THR A 72 165.887 6.238 4.624 1.00 0.00 H new ATOM 0 HA THR A 72 167.752 7.953 5.803 1.00 0.00 H new ATOM 0 HB THR A 72 166.095 5.810 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.646 7.828 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.966 7.348 9.030 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.633 6.839 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.075 8.460 8.194 1.00 0.00 H new ATOM 1146 N ALA A 73 168.473 4.751 5.993 1.00 0.00 N ATOM 1147 CA ALA A 73 169.528 3.799 6.307 1.00 0.00 C ATOM 1148 C ALA A 73 170.812 4.164 5.573 1.00 0.00 C ATOM 1149 O ALA A 73 171.861 4.339 6.188 1.00 0.00 O ATOM 1150 CB ALA A 73 169.092 2.386 5.949 1.00 0.00 C ATOM 0 H ALA A 73 167.662 4.344 5.528 1.00 0.00 H new ATOM 0 HA ALA A 73 169.722 3.839 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.892 1.686 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.199 2.126 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.872 2.332 4.883 1.00 0.00 H new ATOM 1156 N ILE A 74 170.715 4.285 4.250 1.00 0.00 N ATOM 1157 CA ILE A 74 171.877 4.643 3.434 1.00 0.00 C ATOM 1158 C ILE A 74 172.470 5.966 3.910 1.00 0.00 C ATOM 1159 O ILE A 74 173.684 6.168 3.866 1.00 0.00 O ATOM 1160 CB ILE A 74 171.561 4.760 1.914 1.00 0.00 C ATOM 1161 CG1 ILE A 74 170.074 4.519 1.607 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.428 3.794 1.117 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.670 3.058 1.622 1.00 0.00 C ATOM 0 H ILE A 74 169.853 4.142 3.723 1.00 0.00 H new ATOM 0 HA ILE A 74 172.588 3.827 3.559 1.00 0.00 H new ATOM 0 HB ILE A 74 171.791 5.783 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.471 5.060 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.843 4.939 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.196 3.887 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.480 4.029 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.230 2.773 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.607 2.972 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.245 2.514 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.867 2.636 2.608 1.00 0.00 H new ATOM 1175 N ASN A 75 171.601 6.861 4.366 1.00 0.00 N ATOM 1176 CA ASN A 75 172.029 8.165 4.854 1.00 0.00 C ATOM 1177 C ASN A 75 172.908 8.017 6.092 1.00 0.00 C ATOM 1178 O ASN A 75 174.102 8.316 6.056 1.00 0.00 O ATOM 1179 CB ASN A 75 170.814 9.037 5.179 1.00 0.00 C ATOM 1180 CG ASN A 75 170.327 9.821 3.975 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.330 11.051 3.979 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.904 9.108 2.937 1.00 0.00 N ATOM 0 H ASN A 75 170.594 6.706 4.408 1.00 0.00 H new ATOM 0 HA ASN A 75 172.612 8.646 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.006 8.406 5.550 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.071 9.730 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.564 9.580 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.920 8.089 2.978 1.00 0.00 H new ATOM 1189 N GLU A 76 172.314 7.550 7.185 1.00 0.00 N ATOM 1190 CA GLU A 76 173.052 7.362 8.431 1.00 0.00 C ATOM 1191 C GLU A 76 174.330 6.561 8.186 1.00 0.00 C ATOM 1192 O GLU A 76 175.391 6.875 8.730 1.00 0.00 O ATOM 1193 CB GLU A 76 172.180 6.647 9.464 1.00 0.00 C ATOM 1194 CG GLU A 76 172.866 6.449 10.806 1.00 0.00 C ATOM 1195 CD GLU A 76 171.995 5.707 11.802 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.468 4.632 11.444 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.840 6.201 12.938 1.00 0.00 O ATOM 0 H GLU A 76 171.328 7.295 7.235 1.00 0.00 H new ATOM 0 HA GLU A 76 173.324 8.345 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.265 7.220 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 76 171.886 5.675 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 76 173.794 5.896 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 76 173.136 7.421 11.219 1.00 0.00 H new ATOM 1204 N LEU A 77 174.213 5.528 7.362 1.00 0.00 N ATOM 1205 CA LEU A 77 175.343 4.670 7.032 1.00 0.00 C ATOM 1206 C LEU A 77 176.449 5.459 6.326 1.00 0.00 C ATOM 1207 O LEU A 77 177.625 5.104 6.412 1.00 0.00 O ATOM 1208 CB LEU A 77 174.865 3.502 6.157 1.00 0.00 C ATOM 1209 CG LEU A 77 175.826 3.055 5.051 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.627 1.582 4.732 1.00 0.00 C ATOM 1211 CD2 LEU A 77 175.632 3.905 3.804 1.00 0.00 C ATOM 0 H LEU A 77 173.340 5.263 6.907 1.00 0.00 H new ATOM 0 HA LEU A 77 175.762 4.275 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.664 2.648 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 77 173.918 3.783 5.696 1.00 0.00 H new ATOM 0 HG LEU A 77 176.848 3.192 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.319 1.284 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.817 0.987 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.603 1.417 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.322 3.575 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.607 3.799 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 77 175.827 4.951 4.042 1.00 0.00 H new ATOM 1223 N ILE A 78 176.068 6.519 5.619 1.00 0.00 N ATOM 1224 CA ILE A 78 177.038 7.334 4.893 1.00 0.00 C ATOM 1225 C ILE A 78 177.850 8.224 5.835 1.00 0.00 C ATOM 1226 O ILE A 78 179.056 8.389 5.653 1.00 0.00 O ATOM 1227 CB ILE A 78 176.356 8.194 3.799 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.228 8.234 2.543 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.072 9.611 4.290 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.323 6.901 1.832 1.00 0.00 C ATOM 0 H ILE A 78 175.101 6.833 5.533 1.00 0.00 H new ATOM 0 HA ILE A 78 177.724 6.641 4.406 1.00 0.00 H new ATOM 0 HB ILE A 78 175.399 7.730 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 78 176.825 8.977 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.230 8.563 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.594 10.183 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.411 9.570 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 78 177.008 10.093 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 78 177.956 7.003 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.754 6.160 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 78 176.327 6.579 1.528 1.00 0.00 H new ATOM 1242 N ASN A 79 177.189 8.800 6.834 1.00 0.00 N ATOM 1243 CA ASN A 79 177.872 9.675 7.783 1.00 0.00 C ATOM 1244 C ASN A 79 178.897 8.894 8.603 1.00 0.00 C ATOM 1245 O ASN A 79 179.974 9.404 8.913 1.00 0.00 O ATOM 1246 CB ASN A 79 176.864 10.380 8.703 1.00 0.00 C ATOM 1247 CG ASN A 79 176.335 9.491 9.815 1.00 0.00 C ATOM 1248 OD1 ASN A 79 177.100 8.930 10.599 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.017 9.371 9.895 1.00 0.00 N ATOM 0 H ASN A 79 176.191 8.679 7.008 1.00 0.00 H new ATOM 0 HA ASN A 79 178.403 10.438 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 79 177.338 11.257 9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.026 10.738 8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 79 174.601 8.796 10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.419 9.854 9.224 1.00 0.00 H new ATOM 1256 N LYS A 80 178.556 7.657 8.950 1.00 0.00 N ATOM 1257 CA LYS A 80 179.454 6.814 9.734 1.00 0.00 C ATOM 1258 C LYS A 80 180.691 6.437 8.922 1.00 0.00 C ATOM 1259 O LYS A 80 181.818 6.535 9.407 1.00 0.00 O ATOM 1260 CB LYS A 80 178.726 5.551 10.197 1.00 0.00 C ATOM 1261 CG LYS A 80 178.052 5.703 11.553 1.00 0.00 C ATOM 1262 CD LYS A 80 176.539 5.576 11.450 1.00 0.00 C ATOM 1263 CE LYS A 80 176.029 4.349 12.188 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.868 3.148 11.919 1.00 0.00 N ATOM 0 H LYS A 80 177.670 7.217 8.703 1.00 0.00 H new ATOM 0 HA LYS A 80 179.775 7.380 10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.975 5.281 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.438 4.727 10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.435 4.945 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.307 6.673 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.069 6.470 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.249 5.517 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.016 4.550 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 80 175.000 4.147 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.496 2.338 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 176.847 2.930 10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 177.848 3.336 12.212 1.00 0.00 H new ATOM 1278 N LEU A 81 180.472 6.011 7.683 1.00 0.00 N ATOM 1279 CA LEU A 81 181.568 5.623 6.802 1.00 0.00 C ATOM 1280 C LEU A 81 182.531 6.787 6.584 1.00 0.00 C ATOM 1281 O LEU A 81 183.742 6.594 6.478 1.00 0.00 O ATOM 1282 CB LEU A 81 181.018 5.150 5.456 1.00 0.00 C ATOM 1283 CG LEU A 81 181.899 4.145 4.712 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.295 3.807 3.357 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.308 4.695 4.548 1.00 0.00 C ATOM 0 H LEU A 81 179.545 5.925 7.266 1.00 0.00 H new ATOM 0 HA LEU A 81 182.113 4.807 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.039 4.700 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.867 6.020 4.817 1.00 0.00 H new ATOM 0 HG LEU A 81 181.953 3.229 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.935 3.091 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.305 3.373 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.212 4.715 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.923 3.968 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.272 5.624 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.740 4.887 5.530 1.00 0.00 H new ATOM 1297 N GLU A 82 181.981 7.996 6.509 1.00 0.00 N ATOM 1298 CA GLU A 82 182.787 9.192 6.296 1.00 0.00 C ATOM 1299 C GLU A 82 183.766 9.420 7.444 1.00 0.00 C ATOM 1300 O GLU A 82 184.978 9.479 7.234 1.00 0.00 O ATOM 1301 CB GLU A 82 181.883 10.417 6.135 1.00 0.00 C ATOM 1302 CG GLU A 82 182.613 11.649 5.626 1.00 0.00 C ATOM 1303 CD GLU A 82 182.021 12.940 6.157 1.00 0.00 C ATOM 1304 OE1 GLU A 82 181.325 12.891 7.192 1.00 0.00 O ATOM 1305 OE2 GLU A 82 182.254 13.999 5.537 1.00 0.00 O ATOM 0 H GLU A 82 180.980 8.172 6.593 1.00 0.00 H new ATOM 0 HA GLU A 82 183.364 9.043 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 82 181.074 10.173 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.424 10.648 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 82 183.663 11.590 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.582 11.661 4.537 1.00 0.00 H new ATOM 1312 N ARG A 83 183.236 9.554 8.657 1.00 0.00 N ATOM 1313 CA ARG A 83 184.070 9.785 9.834 1.00 0.00 C ATOM 1314 C ARG A 83 185.192 8.750 9.926 1.00 0.00 C ATOM 1315 O ARG A 83 186.309 9.068 10.340 1.00 0.00 O ATOM 1316 CB ARG A 83 183.215 9.769 11.109 1.00 0.00 C ATOM 1317 CG ARG A 83 182.997 8.383 11.702 1.00 0.00 C ATOM 1318 CD ARG A 83 184.085 8.026 12.704 1.00 0.00 C ATOM 1319 NE ARG A 83 183.770 8.499 14.050 1.00 0.00 N ATOM 1320 CZ ARG A 83 184.244 9.629 14.575 1.00 0.00 C ATOM 1321 NH1 ARG A 83 185.054 10.415 13.876 1.00 0.00 N ATOM 1322 NH2 ARG A 83 183.906 9.974 15.812 1.00 0.00 N ATOM 0 H ARG A 83 182.236 9.507 8.851 1.00 0.00 H new ATOM 0 HA ARG A 83 184.529 10.769 9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 83 183.691 10.401 11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.245 10.213 10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.024 8.345 12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 83 182.981 7.643 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 83 184.219 6.944 12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 83 185.031 8.459 12.380 1.00 0.00 H new ATOM 0 HE ARG A 83 183.149 7.929 14.624 1.00 0.00 H new ATOM 0 HH11 ARG A 83 185.320 10.157 12.926 1.00 0.00 H new ATOM 0 HH12 ARG A 83 185.410 11.277 14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.286 9.375 16.357 1.00 0.00 H new ATOM 0 HH22 ARG A 83 184.267 10.838 16.217 1.00 0.00 H new ATOM 1336 N GLN A 84 184.890 7.517 9.537 1.00 0.00 N ATOM 1337 CA GLN A 84 185.876 6.443 9.574 1.00 0.00 C ATOM 1338 C GLN A 84 186.991 6.695 8.563 1.00 0.00 C ATOM 1339 O GLN A 84 188.156 6.388 8.815 1.00 0.00 O ATOM 1340 CB GLN A 84 185.205 5.098 9.291 1.00 0.00 C ATOM 1341 CG GLN A 84 186.089 3.900 9.597 1.00 0.00 C ATOM 1342 CD GLN A 84 185.300 2.610 9.730 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.589 1.781 10.594 1.00 0.00 O ATOM 1344 NE2 GLN A 84 184.300 2.436 8.875 1.00 0.00 N ATOM 0 H GLN A 84 183.972 7.236 9.193 1.00 0.00 H new ATOM 0 HA GLN A 84 186.315 6.418 10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.292 5.026 9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.910 5.062 8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.830 3.788 8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 84 186.636 4.084 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 84 184.097 3.150 8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.734 1.588 8.917 1.00 0.00 H new ATOM 1353 N LEU A 85 186.623 7.262 7.419 1.00 0.00 N ATOM 1354 CA LEU A 85 187.590 7.562 6.368 1.00 0.00 C ATOM 1355 C LEU A 85 188.490 8.725 6.776 1.00 0.00 C ATOM 1356 O LEU A 85 189.645 8.807 6.356 1.00 0.00 O ATOM 1357 CB LEU A 85 186.866 7.891 5.061 1.00 0.00 C ATOM 1358 CG LEU A 85 187.372 7.134 3.831 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.289 7.062 2.766 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.624 7.798 3.275 1.00 0.00 C ATOM 0 H LEU A 85 185.663 7.523 7.196 1.00 0.00 H new ATOM 0 HA LEU A 85 188.214 6.681 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.805 7.678 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.956 8.961 4.873 1.00 0.00 H new ATOM 0 HG LEU A 85 187.626 6.118 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.667 6.520 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.418 6.543 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 85 186.004 8.071 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.970 7.247 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 85 188.395 8.825 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 85 189.404 7.798 4.036 1.00 0.00 H new ATOM 1372 N ASN A 86 187.952 9.624 7.594 1.00 0.00 N ATOM 1373 CA ASN A 86 188.704 10.785 8.057 1.00 0.00 C ATOM 1374 C ASN A 86 189.807 10.373 9.026 1.00 0.00 C ATOM 1375 O ASN A 86 190.982 10.660 8.802 1.00 0.00 O ATOM 1376 CB ASN A 86 187.766 11.789 8.730 1.00 0.00 C ATOM 1377 CG ASN A 86 187.062 12.684 7.730 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.503 13.803 7.463 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.961 12.195 7.172 1.00 0.00 N ATOM 0 H ASN A 86 186.998 9.571 7.950 1.00 0.00 H new ATOM 0 HA ASN A 86 189.168 11.254 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 86 187.022 11.250 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.336 12.405 9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 86 185.444 12.752 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.633 11.263 7.423 1.00 0.00 H new ATOM 1386 N LYS A 87 189.419 9.702 10.108 1.00 0.00 N ATOM 1387 CA LYS A 87 190.379 9.255 11.113 1.00 0.00 C ATOM 1388 C LYS A 87 191.458 8.376 10.486 1.00 0.00 C ATOM 1389 O LYS A 87 192.626 8.445 10.869 1.00 0.00 O ATOM 1390 CB LYS A 87 189.664 8.493 12.233 1.00 0.00 C ATOM 1391 CG LYS A 87 189.083 7.159 11.791 1.00 0.00 C ATOM 1392 CD LYS A 87 190.073 6.024 12.001 1.00 0.00 C ATOM 1393 CE LYS A 87 189.369 4.732 12.386 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.430 3.721 11.295 1.00 0.00 N ATOM 0 H LYS A 87 188.450 9.457 10.311 1.00 0.00 H new ATOM 0 HA LYS A 87 190.859 10.137 11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 87 190.366 8.321 13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.862 9.115 12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 87 188.170 6.955 12.350 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.807 7.212 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.648 5.868 11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.783 6.299 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 87 189.828 4.323 13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.327 4.944 12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.814 2.917 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.110 4.152 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.409 3.387 11.186 1.00 0.00 H new ATOM 1408 N LEU A 88 191.061 7.551 9.523 1.00 0.00 N ATOM 1409 CA LEU A 88 191.999 6.662 8.847 1.00 0.00 C ATOM 1410 C LEU A 88 193.023 7.463 8.046 1.00 0.00 C ATOM 1411 O LEU A 88 194.211 7.139 8.038 1.00 0.00 O ATOM 1412 CB LEU A 88 191.250 5.697 7.926 1.00 0.00 C ATOM 1413 CG LEU A 88 191.416 4.213 8.268 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.788 3.344 7.188 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.887 3.866 8.444 1.00 0.00 C ATOM 0 H LEU A 88 190.098 7.479 9.194 1.00 0.00 H new ATOM 0 HA LEU A 88 192.528 6.086 9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.189 5.944 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.589 5.858 6.903 1.00 0.00 H new ATOM 0 HG LEU A 88 190.903 4.018 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.915 2.293 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.725 3.572 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 88 191.273 3.543 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.985 2.808 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 88 193.424 4.077 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 88 193.308 4.464 9.253 1.00 0.00 H new