USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 445 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 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 453 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0803) USER MOD Single : A 414 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 418 SER OG : rot 180:sc= 0 USER MOD Single : A 421 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 425 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.16) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -9.37! C(o=-9.4!,f=-7!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 446 ASN : amide:sc= 0.408 K(o=0.41,f=-4.8!) USER MOD Single : A 447 LYS NZ :NH3+ -169:sc= -1.2 (180deg=-1.57) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 157:sc= -0.989 (180deg=-1.18) USER MOD Single : A 454 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-7.7!) USER MOD Single : A 458 LYS NZ :NH3+ 162:sc= -0.0226 (180deg=-0.22) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.2) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot -11:sc= -0.561 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -12.259 3.923 24.387 1.00 0.00 N ATOM 2 CA GLY A 413 -12.667 4.943 23.439 1.00 0.00 C ATOM 3 C GLY A 413 -13.376 4.362 22.232 1.00 0.00 C ATOM 4 O GLY A 413 -12.937 3.360 21.668 1.00 0.00 O ATOM 0 HA2 GLY A 413 -13.326 5.654 23.936 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -11.790 5.499 23.108 1.00 0.00 H new ATOM 8 N SER A 414 -14.477 4.991 21.835 1.00 0.00 N ATOM 9 CA SER A 414 -15.252 4.527 20.690 1.00 0.00 C ATOM 10 C SER A 414 -14.691 5.094 19.389 1.00 0.00 C ATOM 11 O SER A 414 -14.143 6.196 19.364 1.00 0.00 O ATOM 12 CB SER A 414 -16.720 4.929 20.843 1.00 0.00 C ATOM 13 OG SER A 414 -17.572 4.016 20.173 1.00 0.00 O ATOM 0 H SER A 414 -14.853 5.823 22.289 1.00 0.00 H new ATOM 0 HA SER A 414 -15.183 3.440 20.653 1.00 0.00 H new ATOM 0 HB2 SER A 414 -16.982 4.966 21.900 1.00 0.00 H new ATOM 0 HB3 SER A 414 -16.869 5.932 20.442 1.00 0.00 H new ATOM 0 HG SER A 414 -18.505 4.294 20.288 1.00 0.00 H new ATOM 19 N SER A 415 -14.833 4.332 18.309 1.00 0.00 N ATOM 20 CA SER A 415 -14.338 4.755 17.004 1.00 0.00 C ATOM 21 C SER A 415 -15.410 4.580 15.933 1.00 0.00 C ATOM 22 O SER A 415 -15.813 3.461 15.619 1.00 0.00 O ATOM 23 CB SER A 415 -13.088 3.958 16.626 1.00 0.00 C ATOM 24 OG SER A 415 -12.542 4.415 15.401 1.00 0.00 O ATOM 0 H SER A 415 -15.287 3.419 18.312 1.00 0.00 H new ATOM 0 HA SER A 415 -14.081 5.812 17.066 1.00 0.00 H new ATOM 0 HB2 SER A 415 -12.343 4.049 17.416 1.00 0.00 H new ATOM 0 HB3 SER A 415 -13.338 2.900 16.544 1.00 0.00 H new ATOM 0 HG SER A 415 -11.743 3.891 15.183 1.00 0.00 H new ATOM 30 N GLY A 416 -15.869 5.696 15.376 1.00 0.00 N ATOM 31 CA GLY A 416 -16.891 5.646 14.346 1.00 0.00 C ATOM 32 C GLY A 416 -16.434 4.893 13.113 1.00 0.00 C ATOM 33 O GLY A 416 -16.256 3.675 13.151 1.00 0.00 O ATOM 0 H GLY A 416 -15.552 6.634 15.619 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -17.785 5.170 14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -17.170 6.662 14.065 1.00 0.00 H new ATOM 37 N SER A 417 -16.244 5.618 12.015 1.00 0.00 N ATOM 38 CA SER A 417 -15.811 5.010 10.762 1.00 0.00 C ATOM 39 C SER A 417 -14.326 5.266 10.519 1.00 0.00 C ATOM 40 O SER A 417 -13.930 6.368 10.140 1.00 0.00 O ATOM 41 CB SER A 417 -16.633 5.557 9.594 1.00 0.00 C ATOM 42 OG SER A 417 -17.955 5.048 9.618 1.00 0.00 O ATOM 0 H SER A 417 -16.383 6.627 11.968 1.00 0.00 H new ATOM 0 HA SER A 417 -15.969 3.934 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 417 -16.658 6.646 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 417 -16.154 5.290 8.652 1.00 0.00 H new ATOM 0 HG SER A 417 -18.460 5.414 8.862 1.00 0.00 H new ATOM 48 N SER A 418 -13.511 4.240 10.741 1.00 0.00 N ATOM 49 CA SER A 418 -12.070 4.354 10.550 1.00 0.00 C ATOM 50 C SER A 418 -11.704 4.213 9.075 1.00 0.00 C ATOM 51 O SER A 418 -10.976 5.037 8.524 1.00 0.00 O ATOM 52 CB SER A 418 -11.340 3.290 11.372 1.00 0.00 C ATOM 53 OG SER A 418 -9.979 3.637 11.562 1.00 0.00 O ATOM 0 H SER A 418 -13.824 3.321 11.053 1.00 0.00 H new ATOM 0 HA SER A 418 -11.760 5.342 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 418 -11.828 3.176 12.340 1.00 0.00 H new ATOM 0 HB3 SER A 418 -11.406 2.327 10.866 1.00 0.00 H new ATOM 0 HG SER A 418 -9.535 2.942 12.092 1.00 0.00 H new ATOM 59 N GLY A 419 -12.217 3.162 8.442 1.00 0.00 N ATOM 60 CA GLY A 419 -11.934 2.932 7.038 1.00 0.00 C ATOM 61 C GLY A 419 -11.352 1.556 6.782 1.00 0.00 C ATOM 62 O GLY A 419 -11.924 0.546 7.194 1.00 0.00 O ATOM 0 H GLY A 419 -12.823 2.466 8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -12.852 3.048 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -11.236 3.690 6.682 1.00 0.00 H new ATOM 66 N PHE A 420 -10.213 1.514 6.099 1.00 0.00 N ATOM 67 CA PHE A 420 -9.555 0.251 5.786 1.00 0.00 C ATOM 68 C PHE A 420 -8.582 -0.144 6.893 1.00 0.00 C ATOM 69 O PHE A 420 -8.146 0.696 7.679 1.00 0.00 O ATOM 70 CB PHE A 420 -8.812 0.355 4.452 1.00 0.00 C ATOM 71 CG PHE A 420 -9.668 0.862 3.327 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.951 0.373 3.140 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.190 1.829 2.457 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.741 0.838 2.106 1.00 0.00 C ATOM 75 CE2 PHE A 420 -9.977 2.298 1.422 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.253 1.801 1.245 1.00 0.00 C ATOM 0 H PHE A 420 -9.726 2.340 5.752 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.322 -0.520 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.955 1.018 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.420 -0.627 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -11.338 -0.380 3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -8.192 2.220 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -12.739 0.449 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -9.594 3.053 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.868 2.165 0.435 1.00 0.00 H new ATOM 86 N GLN A 421 -8.248 -1.430 6.948 1.00 0.00 N ATOM 87 CA GLN A 421 -7.329 -1.937 7.960 1.00 0.00 C ATOM 88 C GLN A 421 -6.093 -2.554 7.312 1.00 0.00 C ATOM 89 O GLN A 421 -6.168 -3.204 6.269 1.00 0.00 O ATOM 90 CB GLN A 421 -8.028 -2.973 8.841 1.00 0.00 C ATOM 91 CG GLN A 421 -8.760 -2.368 10.028 1.00 0.00 C ATOM 92 CD GLN A 421 -9.169 -3.407 11.053 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.348 -4.581 10.727 1.00 0.00 O ATOM 94 NE2 GLN A 421 -9.320 -2.980 12.301 1.00 0.00 N ATOM 0 H GLN A 421 -8.600 -2.139 6.304 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.012 -1.098 8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.739 -3.534 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.288 -3.686 9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -8.120 -1.625 10.505 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -9.648 -1.844 9.674 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -9.161 -1.998 12.527 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -9.595 -3.634 13.034 1.00 0.00 H new ATOM 103 N PRO A 422 -4.928 -2.345 7.942 1.00 0.00 N ATOM 104 CA PRO A 422 -3.654 -2.873 7.445 1.00 0.00 C ATOM 105 C PRO A 422 -3.564 -4.389 7.573 1.00 0.00 C ATOM 106 O PRO A 422 -4.287 -4.999 8.360 1.00 0.00 O ATOM 107 CB PRO A 422 -2.615 -2.198 8.344 1.00 0.00 C ATOM 108 CG PRO A 422 -3.350 -1.882 9.601 1.00 0.00 C ATOM 109 CD PRO A 422 -4.764 -1.579 9.189 1.00 0.00 C ATOM 0 HA PRO A 422 -3.516 -2.670 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.769 -2.858 8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.217 -1.295 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.317 -2.723 10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -2.901 -1.030 10.112 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.480 -1.891 9.949 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -4.916 -0.512 9.028 1.00 0.00 H new ATOM 117 N GLY A 423 -2.671 -4.993 6.795 1.00 0.00 N ATOM 118 CA GLY A 423 -2.504 -6.434 6.838 1.00 0.00 C ATOM 119 C GLY A 423 -2.968 -7.110 5.563 1.00 0.00 C ATOM 120 O GLY A 423 -2.472 -8.177 5.202 1.00 0.00 O ATOM 0 H GLY A 423 -2.060 -4.510 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.454 -6.670 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.063 -6.836 7.683 1.00 0.00 H new ATOM 124 N ASP A 424 -3.924 -6.489 4.881 1.00 0.00 N ATOM 125 CA ASP A 424 -4.457 -7.038 3.639 1.00 0.00 C ATOM 126 C ASP A 424 -3.466 -6.852 2.494 1.00 0.00 C ATOM 127 O ASP A 424 -2.404 -6.257 2.670 1.00 0.00 O ATOM 128 CB ASP A 424 -5.788 -6.370 3.291 1.00 0.00 C ATOM 129 CG ASP A 424 -6.962 -7.015 4.000 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.209 -8.217 3.767 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.634 -6.318 4.789 1.00 0.00 O ATOM 0 H ASP A 424 -4.346 -5.605 5.167 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.622 -8.106 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.742 -5.314 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -5.946 -6.420 2.214 1.00 0.00 H new ATOM 136 N ASN A 425 -3.821 -7.368 1.321 1.00 0.00 N ATOM 137 CA ASN A 425 -2.962 -7.260 0.148 1.00 0.00 C ATOM 138 C ASN A 425 -3.566 -6.313 -0.884 1.00 0.00 C ATOM 139 O ASN A 425 -4.741 -6.427 -1.234 1.00 0.00 O ATOM 140 CB ASN A 425 -2.742 -8.640 -0.477 1.00 0.00 C ATOM 141 CG ASN A 425 -2.380 -9.690 0.555 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.209 -10.027 0.731 1.00 0.00 O ATOM 143 ND2 ASN A 425 -3.388 -10.215 1.243 1.00 0.00 N ATOM 0 H ASN A 425 -4.697 -7.865 1.158 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.002 -6.855 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.647 -8.947 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.948 -8.577 -1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -3.207 -10.927 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.343 -9.906 1.064 1.00 0.00 H new ATOM 150 N VAL A 426 -2.755 -5.378 -1.368 1.00 0.00 N ATOM 151 CA VAL A 426 -3.209 -4.412 -2.362 1.00 0.00 C ATOM 152 C VAL A 426 -2.152 -4.194 -3.439 1.00 0.00 C ATOM 153 O VAL A 426 -0.983 -4.528 -3.251 1.00 0.00 O ATOM 154 CB VAL A 426 -3.551 -3.058 -1.712 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.706 -3.212 -0.734 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.329 -2.476 -1.018 1.00 0.00 C ATOM 0 H VAL A 426 -1.780 -5.269 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.108 -4.825 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.859 -2.366 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.934 -2.245 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.584 -3.582 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.429 -3.919 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.589 -1.520 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -1.988 -3.164 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.533 -2.327 -1.747 1.00 0.00 H new ATOM 166 N GLU A 427 -2.572 -3.630 -4.567 1.00 0.00 N ATOM 167 CA GLU A 427 -1.661 -3.367 -5.674 1.00 0.00 C ATOM 168 C GLU A 427 -1.896 -1.975 -6.254 1.00 0.00 C ATOM 169 O GLU A 427 -3.020 -1.473 -6.258 1.00 0.00 O ATOM 170 CB GLU A 427 -1.835 -4.423 -6.769 1.00 0.00 C ATOM 171 CG GLU A 427 -1.055 -4.120 -8.036 1.00 0.00 C ATOM 172 CD GLU A 427 -1.101 -5.259 -9.036 1.00 0.00 C ATOM 173 OE1 GLU A 427 -0.439 -6.289 -8.791 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.797 -5.120 -10.063 1.00 0.00 O ATOM 0 H GLU A 427 -3.537 -3.347 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.642 -3.415 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.520 -5.392 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.893 -4.508 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.457 -3.219 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -0.017 -3.910 -7.778 1.00 0.00 H new ATOM 181 N VAL A 428 -0.826 -1.356 -6.742 1.00 0.00 N ATOM 182 CA VAL A 428 -0.914 -0.022 -7.324 1.00 0.00 C ATOM 183 C VAL A 428 -1.741 -0.034 -8.604 1.00 0.00 C ATOM 184 O VAL A 428 -1.667 -0.976 -9.395 1.00 0.00 O ATOM 185 CB VAL A 428 0.483 0.548 -7.635 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.367 1.864 -8.389 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.282 0.727 -6.353 1.00 0.00 C ATOM 0 H VAL A 428 0.112 -1.757 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.402 0.614 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 428 1.013 -0.161 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.364 2.252 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.165 1.701 -9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.181 2.584 -7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.266 1.130 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.758 1.416 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.395 -0.237 -5.857 1.00 0.00 H new ATOM 197 N CYS A 429 -2.530 1.016 -8.802 1.00 0.00 N ATOM 198 CA CYS A 429 -3.373 1.126 -9.987 1.00 0.00 C ATOM 199 C CYS A 429 -2.632 1.832 -11.118 1.00 0.00 C ATOM 200 O CYS A 429 -2.657 1.384 -12.264 1.00 0.00 O ATOM 201 CB CYS A 429 -4.660 1.883 -9.654 1.00 0.00 C ATOM 202 SG CYS A 429 -5.733 2.177 -11.080 1.00 0.00 S ATOM 0 H CYS A 429 -2.604 1.803 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.627 0.119 -10.317 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.216 1.320 -8.904 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.399 2.841 -9.205 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.796 2.821 -10.698 1.00 0.00 H new ATOM 208 N GLU A 430 -1.975 2.940 -10.788 1.00 0.00 N ATOM 209 CA GLU A 430 -1.230 3.709 -11.777 1.00 0.00 C ATOM 210 C GLU A 430 0.053 4.274 -11.173 1.00 0.00 C ATOM 211 O GLU A 430 0.162 4.434 -9.958 1.00 0.00 O ATOM 212 CB GLU A 430 -2.092 4.847 -12.327 1.00 0.00 C ATOM 213 CG GLU A 430 -1.498 5.525 -13.550 1.00 0.00 C ATOM 214 CD GLU A 430 -1.540 4.643 -14.783 1.00 0.00 C ATOM 215 OE1 GLU A 430 -0.804 3.635 -14.816 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.309 4.962 -15.715 1.00 0.00 O ATOM 0 H GLU A 430 -1.944 3.324 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.962 3.039 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.077 4.455 -12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.238 5.592 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.042 6.448 -13.749 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -0.465 5.803 -13.341 1.00 0.00 H new ATOM 223 N GLY A 431 1.022 4.574 -12.032 1.00 0.00 N ATOM 224 CA GLY A 431 2.285 5.117 -11.566 1.00 0.00 C ATOM 225 C GLY A 431 3.440 4.158 -11.773 1.00 0.00 C ATOM 226 O GLY A 431 3.248 2.942 -11.802 1.00 0.00 O ATOM 0 H GLY A 431 0.955 4.451 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.492 6.049 -12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.204 5.360 -10.506 1.00 0.00 H new ATOM 230 N GLU A 432 4.643 4.705 -11.918 1.00 0.00 N ATOM 231 CA GLU A 432 5.833 3.888 -12.126 1.00 0.00 C ATOM 232 C GLU A 432 5.800 2.643 -11.243 1.00 0.00 C ATOM 233 O GLU A 432 6.394 1.617 -11.575 1.00 0.00 O ATOM 234 CB GLU A 432 7.095 4.702 -11.831 1.00 0.00 C ATOM 235 CG GLU A 432 7.404 5.749 -12.888 1.00 0.00 C ATOM 236 CD GLU A 432 6.666 7.052 -12.651 1.00 0.00 C ATOM 237 OE1 GLU A 432 6.746 7.583 -11.524 1.00 0.00 O ATOM 238 OE2 GLU A 432 6.009 7.541 -13.594 1.00 0.00 O ATOM 0 H GLU A 432 4.819 5.709 -11.895 1.00 0.00 H new ATOM 0 HA GLU A 432 5.848 3.572 -13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.982 5.195 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.943 4.023 -11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.477 5.941 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.138 5.358 -13.870 1.00 0.00 H new ATOM 245 N LEU A 433 5.102 2.743 -10.117 1.00 0.00 N ATOM 246 CA LEU A 433 4.991 1.626 -9.185 1.00 0.00 C ATOM 247 C LEU A 433 3.763 0.776 -9.497 1.00 0.00 C ATOM 248 O LEU A 433 3.152 0.197 -8.598 1.00 0.00 O ATOM 249 CB LEU A 433 4.916 2.142 -7.747 1.00 0.00 C ATOM 250 CG LEU A 433 6.100 2.986 -7.274 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.709 3.826 -6.068 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.291 2.099 -6.946 1.00 0.00 C ATOM 0 H LEU A 433 4.605 3.585 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 433 5.879 1.003 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.008 2.735 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.816 1.286 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 433 6.387 3.659 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.564 4.420 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.887 4.490 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.395 3.171 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.124 2.717 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.017 1.400 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.587 1.543 -7.836 1.00 0.00 H new ATOM 264 N ILE A 434 3.408 0.706 -10.776 1.00 0.00 N ATOM 265 CA ILE A 434 2.256 -0.076 -11.206 1.00 0.00 C ATOM 266 C ILE A 434 2.485 -1.566 -10.975 1.00 0.00 C ATOM 267 O ILE A 434 3.618 -2.009 -10.795 1.00 0.00 O ATOM 268 CB ILE A 434 1.941 0.159 -12.695 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.561 -0.405 -13.042 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.013 -0.474 -13.570 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.015 0.154 -14.324 1.00 0.00 C ATOM 0 H ILE A 434 3.902 1.181 -11.532 1.00 0.00 H new ATOM 0 HA ILE A 434 1.408 0.255 -10.607 1.00 0.00 H new ATOM 0 HB ILE A 434 1.932 1.232 -12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.632 -1.489 -13.127 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.126 -0.194 -12.222 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.776 -0.299 -14.619 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.981 -0.030 -13.338 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.051 -1.547 -13.380 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.994 -0.290 -14.507 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.118 1.236 -14.235 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.651 -0.080 -15.155 1.00 0.00 H new ATOM 283 N ASN A 435 1.400 -2.334 -10.983 1.00 0.00 N ATOM 284 CA ASN A 435 1.482 -3.775 -10.776 1.00 0.00 C ATOM 285 C ASN A 435 2.377 -4.103 -9.584 1.00 0.00 C ATOM 286 O ASN A 435 3.064 -5.125 -9.573 1.00 0.00 O ATOM 287 CB ASN A 435 2.017 -4.463 -12.034 1.00 0.00 C ATOM 288 CG ASN A 435 3.454 -4.082 -12.335 1.00 0.00 C ATOM 289 OD1 ASN A 435 4.369 -4.430 -11.588 1.00 0.00 O ATOM 290 ND2 ASN A 435 3.657 -3.362 -13.432 1.00 0.00 N ATOM 0 H ASN A 435 0.454 -1.982 -11.131 1.00 0.00 H new ATOM 0 HA ASN A 435 0.478 -4.145 -10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 435 1.949 -5.544 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 435 1.388 -4.199 -12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 435 4.602 -3.074 -13.686 1.00 0.00 H new ATOM 0 HD22 ASN A 435 2.868 -3.097 -14.021 1.00 0.00 H new ATOM 297 N LEU A 436 2.362 -3.230 -8.583 1.00 0.00 N ATOM 298 CA LEU A 436 3.171 -3.427 -7.385 1.00 0.00 C ATOM 299 C LEU A 436 2.345 -4.053 -6.266 1.00 0.00 C ATOM 300 O LEU A 436 1.551 -3.376 -5.615 1.00 0.00 O ATOM 301 CB LEU A 436 3.757 -2.093 -6.917 1.00 0.00 C ATOM 302 CG LEU A 436 4.845 -2.177 -5.846 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.110 -2.797 -6.417 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.136 -0.797 -5.273 1.00 0.00 C ATOM 0 H LEU A 436 1.799 -2.379 -8.577 1.00 0.00 H new ATOM 0 HA LEU A 436 3.985 -4.108 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.168 -1.575 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 436 2.944 -1.477 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 436 4.485 -2.815 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.873 -2.848 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.892 -3.802 -6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.474 -2.186 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.913 -0.875 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.475 -0.136 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.229 -0.390 -4.825 1.00 0.00 H new ATOM 316 N GLN A 437 2.540 -5.350 -6.049 1.00 0.00 N ATOM 317 CA GLN A 437 1.814 -6.067 -5.008 1.00 0.00 C ATOM 318 C GLN A 437 2.538 -5.964 -3.669 1.00 0.00 C ATOM 319 O GLN A 437 3.763 -6.056 -3.606 1.00 0.00 O ATOM 320 CB GLN A 437 1.642 -7.536 -5.396 1.00 0.00 C ATOM 321 CG GLN A 437 2.927 -8.344 -5.307 1.00 0.00 C ATOM 322 CD GLN A 437 2.759 -9.766 -5.804 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.668 -10.705 -5.013 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.715 -9.932 -7.121 1.00 0.00 N ATOM 0 H GLN A 437 3.194 -5.925 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 437 0.831 -5.608 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.892 -7.989 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.258 -7.591 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.704 -7.849 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.269 -8.363 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 437 2.794 -9.125 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.602 -10.867 -7.514 1.00 0.00 H new ATOM 333 N GLY A 438 1.771 -5.771 -2.600 1.00 0.00 N ATOM 334 CA GLY A 438 2.357 -5.658 -1.277 1.00 0.00 C ATOM 335 C GLY A 438 1.322 -5.759 -0.174 1.00 0.00 C ATOM 336 O GLY A 438 0.123 -5.830 -0.442 1.00 0.00 O ATOM 0 H GLY A 438 0.754 -5.691 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.102 -6.443 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.880 -4.705 -1.195 1.00 0.00 H new ATOM 340 N LYS A 439 1.786 -5.767 1.071 1.00 0.00 N ATOM 341 CA LYS A 439 0.893 -5.861 2.220 1.00 0.00 C ATOM 342 C LYS A 439 0.768 -4.513 2.922 1.00 0.00 C ATOM 343 O LYS A 439 1.741 -3.766 3.031 1.00 0.00 O ATOM 344 CB LYS A 439 1.404 -6.916 3.204 1.00 0.00 C ATOM 345 CG LYS A 439 0.854 -8.307 2.944 1.00 0.00 C ATOM 346 CD LYS A 439 1.674 -9.372 3.654 1.00 0.00 C ATOM 347 CE LYS A 439 1.656 -10.689 2.893 1.00 0.00 C ATOM 348 NZ LYS A 439 2.272 -11.793 3.679 1.00 0.00 N ATOM 0 H LYS A 439 2.776 -5.709 1.310 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.093 -6.156 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.492 -6.950 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.140 -6.614 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.181 -8.359 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.851 -8.504 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 439 2.702 -9.028 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.281 -9.526 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 439 0.627 -10.950 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 439 2.192 -10.571 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 2.240 -12.673 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 3.261 -11.555 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 1.746 -11.923 4.566 1.00 0.00 H new ATOM 362 N ILE A 440 -0.435 -4.209 3.399 1.00 0.00 N ATOM 363 CA ILE A 440 -0.685 -2.952 4.093 1.00 0.00 C ATOM 364 C ILE A 440 -0.153 -2.997 5.521 1.00 0.00 C ATOM 365 O ILE A 440 -0.262 -4.017 6.204 1.00 0.00 O ATOM 366 CB ILE A 440 -2.188 -2.618 4.128 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.780 -2.680 2.718 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.412 -1.244 4.742 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.289 -2.587 2.691 1.00 0.00 C ATOM 0 H ILE A 440 -1.251 -4.816 3.317 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.161 -2.175 3.537 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.695 -3.358 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.363 -1.868 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.473 -3.613 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.479 -1.023 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.022 -1.232 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.895 -0.491 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.638 -2.638 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.715 -3.414 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.603 -1.642 3.135 1.00 0.00 H new ATOM 381 N LEU A 441 0.422 -1.886 5.968 1.00 0.00 N ATOM 382 CA LEU A 441 0.970 -1.797 7.317 1.00 0.00 C ATOM 383 C LEU A 441 0.051 -0.987 8.226 1.00 0.00 C ATOM 384 O LEU A 441 -0.312 -1.432 9.314 1.00 0.00 O ATOM 385 CB LEU A 441 2.361 -1.163 7.282 1.00 0.00 C ATOM 386 CG LEU A 441 3.532 -2.124 7.077 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.792 -1.359 6.702 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.765 -2.956 8.330 1.00 0.00 C ATOM 0 H LEU A 441 0.521 -1.034 5.416 1.00 0.00 H new ATOM 0 HA LEU A 441 1.048 -2.807 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.381 -0.422 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.517 -0.626 8.218 1.00 0.00 H new ATOM 0 HG LEU A 441 3.284 -2.798 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.615 -2.060 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.621 -0.808 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.044 -0.660 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.602 -3.634 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.991 -2.296 9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.869 -3.534 8.555 1.00 0.00 H new ATOM 400 N SER A 442 -0.322 0.205 7.770 1.00 0.00 N ATOM 401 CA SER A 442 -1.197 1.079 8.543 1.00 0.00 C ATOM 402 C SER A 442 -2.039 1.957 7.621 1.00 0.00 C ATOM 403 O SER A 442 -1.785 2.037 6.419 1.00 0.00 O ATOM 404 CB SER A 442 -0.373 1.954 9.488 1.00 0.00 C ATOM 405 OG SER A 442 0.245 1.174 10.497 1.00 0.00 O ATOM 0 H SER A 442 -0.032 0.587 6.870 1.00 0.00 H new ATOM 0 HA SER A 442 -1.867 0.453 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.388 2.490 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.016 2.705 9.947 1.00 0.00 H new ATOM 0 HG SER A 442 0.767 1.757 11.087 1.00 0.00 H new ATOM 411 N VAL A 443 -3.041 2.615 8.195 1.00 0.00 N ATOM 412 CA VAL A 443 -3.920 3.489 7.427 1.00 0.00 C ATOM 413 C VAL A 443 -3.906 4.908 7.983 1.00 0.00 C ATOM 414 O VAL A 443 -4.242 5.135 9.145 1.00 0.00 O ATOM 415 CB VAL A 443 -5.369 2.965 7.424 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.294 3.957 6.734 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.441 1.602 6.754 1.00 0.00 C ATOM 0 H VAL A 443 -3.264 2.560 9.189 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.542 3.499 6.405 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.699 2.854 8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.313 3.570 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.264 4.910 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.969 4.102 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.472 1.247 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.092 1.684 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.811 0.897 7.296 1.00 0.00 H new ATOM 427 N ASP A 444 -3.514 5.862 7.144 1.00 0.00 N ATOM 428 CA ASP A 444 -3.457 7.261 7.551 1.00 0.00 C ATOM 429 C ASP A 444 -4.442 8.102 6.744 1.00 0.00 C ATOM 430 O ASP A 444 -4.066 8.750 5.768 1.00 0.00 O ATOM 431 CB ASP A 444 -2.039 7.807 7.377 1.00 0.00 C ATOM 432 CG ASP A 444 -1.725 8.923 8.354 1.00 0.00 C ATOM 433 OD1 ASP A 444 -2.266 8.897 9.478 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.938 9.824 7.993 1.00 0.00 O ATOM 0 H ASP A 444 -3.231 5.691 6.179 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.734 7.320 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.322 6.997 7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.917 8.175 6.358 1.00 0.00 H new ATOM 439 N GLY A 445 -5.705 8.086 7.159 1.00 0.00 N ATOM 440 CA GLY A 445 -6.724 8.849 6.463 1.00 0.00 C ATOM 441 C GLY A 445 -6.628 8.707 4.957 1.00 0.00 C ATOM 442 O GLY A 445 -6.989 7.671 4.401 1.00 0.00 O ATOM 0 H GLY A 445 -6.040 7.558 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.709 8.520 6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.633 9.901 6.732 1.00 0.00 H new ATOM 446 N ASN A 446 -6.141 9.752 4.296 1.00 0.00 N ATOM 447 CA ASN A 446 -6.001 9.740 2.844 1.00 0.00 C ATOM 448 C ASN A 446 -4.785 8.921 2.422 1.00 0.00 C ATOM 449 O ASN A 446 -4.847 8.142 1.470 1.00 0.00 O ATOM 450 CB ASN A 446 -5.877 11.169 2.311 1.00 0.00 C ATOM 451 CG ASN A 446 -6.686 12.161 3.123 1.00 0.00 C ATOM 452 OD1 ASN A 446 -6.482 12.308 4.328 1.00 0.00 O ATOM 453 ND2 ASN A 446 -7.612 12.849 2.465 1.00 0.00 N ATOM 0 H ASN A 446 -5.837 10.617 4.742 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.893 9.278 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.829 11.467 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.209 11.197 1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -8.188 13.531 2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -7.748 12.695 1.466 1.00 0.00 H new ATOM 460 N LYS A 447 -3.680 9.100 3.137 1.00 0.00 N ATOM 461 CA LYS A 447 -2.449 8.377 2.840 1.00 0.00 C ATOM 462 C LYS A 447 -2.446 7.009 3.514 1.00 0.00 C ATOM 463 O LYS A 447 -2.866 6.872 4.663 1.00 0.00 O ATOM 464 CB LYS A 447 -1.234 9.187 3.298 1.00 0.00 C ATOM 465 CG LYS A 447 -0.825 10.276 2.322 1.00 0.00 C ATOM 466 CD LYS A 447 -1.649 11.538 2.517 1.00 0.00 C ATOM 467 CE LYS A 447 -1.001 12.476 3.524 1.00 0.00 C ATOM 468 NZ LYS A 447 -0.842 11.834 4.858 1.00 0.00 N ATOM 0 H LYS A 447 -3.611 9.741 3.928 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.394 8.231 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.454 9.641 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.393 8.511 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.232 10.506 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.947 9.915 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.763 12.051 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -2.650 11.272 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.025 12.789 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.607 13.376 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.573 12.553 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -1.741 11.393 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.101 11.106 4.807 1.00 0.00 H new ATOM 482 N ILE A 448 -1.968 6.000 2.793 1.00 0.00 N ATOM 483 CA ILE A 448 -1.907 4.644 3.323 1.00 0.00 C ATOM 484 C ILE A 448 -0.474 4.124 3.341 1.00 0.00 C ATOM 485 O ILE A 448 0.130 3.897 2.292 1.00 0.00 O ATOM 486 CB ILE A 448 -2.782 3.679 2.501 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.185 4.259 2.316 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.851 2.319 3.179 1.00 0.00 C ATOM 489 CD1 ILE A 448 -5.029 4.212 3.570 1.00 0.00 C ATOM 0 H ILE A 448 -1.617 6.097 1.840 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.287 4.687 4.344 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.330 3.551 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -4.101 5.294 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.695 3.710 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.473 1.648 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.847 1.903 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.283 2.430 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -6.010 4.640 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.145 3.177 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.541 4.785 4.358 1.00 0.00 H new ATOM 501 N THR A 449 0.066 3.935 4.541 1.00 0.00 N ATOM 502 CA THR A 449 1.429 3.441 4.696 1.00 0.00 C ATOM 503 C THR A 449 1.485 1.925 4.539 1.00 0.00 C ATOM 504 O THR A 449 0.885 1.188 5.322 1.00 0.00 O ATOM 505 CB THR A 449 2.013 3.825 6.069 1.00 0.00 C ATOM 506 OG1 THR A 449 1.744 5.204 6.346 1.00 0.00 O ATOM 507 CG2 THR A 449 3.513 3.578 6.107 1.00 0.00 C ATOM 0 H THR A 449 -0.419 4.116 5.420 1.00 0.00 H new ATOM 0 HA THR A 449 2.026 3.908 3.912 1.00 0.00 H new ATOM 0 HB THR A 449 1.539 3.203 6.828 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.117 5.441 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.903 3.856 7.086 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.713 2.522 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.000 4.178 5.338 1.00 0.00 H new ATOM 515 N ILE A 450 2.210 1.467 3.525 1.00 0.00 N ATOM 516 CA ILE A 450 2.346 0.039 3.267 1.00 0.00 C ATOM 517 C ILE A 450 3.779 -0.318 2.888 1.00 0.00 C ATOM 518 O ILE A 450 4.610 0.562 2.665 1.00 0.00 O ATOM 519 CB ILE A 450 1.400 -0.423 2.143 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.830 0.180 0.805 1.00 0.00 C ATOM 521 CG2 ILE A 450 -0.036 -0.037 2.467 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.462 -0.674 -0.389 1.00 0.00 C ATOM 0 H ILE A 450 2.713 2.064 2.868 1.00 0.00 H new ATOM 0 HA ILE A 450 2.078 -0.474 4.190 1.00 0.00 H new ATOM 0 HB ILE A 450 1.455 -1.509 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.371 1.162 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.909 0.332 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.693 -0.370 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.338 -0.510 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.108 1.046 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.797 -0.185 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.943 -1.648 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.380 -0.805 -0.423 1.00 0.00 H new ATOM 534 N MET A 451 4.061 -1.615 2.816 1.00 0.00 N ATOM 535 CA MET A 451 5.394 -2.088 2.461 1.00 0.00 C ATOM 536 C MET A 451 5.326 -3.099 1.321 1.00 0.00 C ATOM 537 O MET A 451 4.811 -4.207 1.472 1.00 0.00 O ATOM 538 CB MET A 451 6.076 -2.717 3.677 1.00 0.00 C ATOM 539 CG MET A 451 7.588 -2.811 3.545 1.00 0.00 C ATOM 540 SD MET A 451 8.116 -4.276 2.637 1.00 0.00 S ATOM 541 CE MET A 451 9.583 -3.656 1.818 1.00 0.00 C ATOM 0 H MET A 451 3.385 -2.356 2.999 1.00 0.00 H new ATOM 0 HA MET A 451 5.980 -1.231 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.833 -2.131 4.563 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.670 -3.716 3.834 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.961 -1.921 3.039 1.00 0.00 H new ATOM 0 HG3 MET A 451 8.036 -2.823 4.539 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.237 -4.490 1.563 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.296 -3.129 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 451 10.109 -2.972 2.483 1.00 0.00 H new ATOM 551 N PRO A 452 5.857 -2.712 0.152 1.00 0.00 N ATOM 552 CA PRO A 452 5.869 -3.571 -1.036 1.00 0.00 C ATOM 553 C PRO A 452 6.817 -4.755 -0.885 1.00 0.00 C ATOM 554 O PRO A 452 7.777 -4.702 -0.116 1.00 0.00 O ATOM 555 CB PRO A 452 6.354 -2.635 -2.146 1.00 0.00 C ATOM 556 CG PRO A 452 7.146 -1.589 -1.440 1.00 0.00 C ATOM 557 CD PRO A 452 6.488 -1.405 -0.100 1.00 0.00 C ATOM 0 HA PRO A 452 4.892 -4.013 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.964 -3.168 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.516 -2.198 -2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.185 -1.897 -1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.151 -0.656 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.214 -1.153 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.752 -0.601 -0.120 1.00 0.00 H new ATOM 565 N LYS A 453 6.543 -5.824 -1.625 1.00 0.00 N ATOM 566 CA LYS A 453 7.373 -7.022 -1.576 1.00 0.00 C ATOM 567 C LYS A 453 8.463 -6.974 -2.642 1.00 0.00 C ATOM 568 O LYS A 453 8.257 -7.411 -3.775 1.00 0.00 O ATOM 569 CB LYS A 453 6.512 -8.273 -1.769 1.00 0.00 C ATOM 570 CG LYS A 453 5.557 -8.537 -0.617 1.00 0.00 C ATOM 571 CD LYS A 453 5.001 -9.950 -0.667 1.00 0.00 C ATOM 572 CE LYS A 453 4.229 -10.290 0.598 1.00 0.00 C ATOM 573 NZ LYS A 453 5.134 -10.496 1.762 1.00 0.00 N ATOM 0 H LYS A 453 5.752 -5.885 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 453 7.849 -7.063 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.938 -8.170 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.164 -9.137 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.075 -8.382 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.736 -7.821 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 453 4.347 -10.054 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.818 -10.659 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 453 3.527 -9.487 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 453 3.640 -11.192 0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 4.595 -10.905 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 5.902 -11.144 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.538 -9.583 2.054 1.00 0.00 H new ATOM 587 N HIS A 454 9.623 -6.440 -2.273 1.00 0.00 N ATOM 588 CA HIS A 454 10.746 -6.337 -3.197 1.00 0.00 C ATOM 589 C HIS A 454 12.066 -6.240 -2.440 1.00 0.00 C ATOM 590 O HIS A 454 12.127 -5.670 -1.351 1.00 0.00 O ATOM 591 CB HIS A 454 10.575 -5.119 -4.106 1.00 0.00 C ATOM 592 CG HIS A 454 11.341 -5.217 -5.389 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.685 -5.521 -5.442 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.943 -5.051 -6.672 1.00 0.00 C ATOM 595 CE1 HIS A 454 13.081 -5.536 -6.702 1.00 0.00 C ATOM 596 NE2 HIS A 454 12.043 -5.254 -7.469 1.00 0.00 N ATOM 0 H HIS A 454 9.810 -6.072 -1.340 1.00 0.00 H new ATOM 0 HA HIS A 454 10.765 -7.239 -3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.517 -4.991 -4.333 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.896 -4.227 -3.568 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.946 -4.805 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 454 14.083 -5.744 -7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 454 12.056 -5.196 -8.487 1.00 0.00 H new ATOM 604 N GLU A 455 13.121 -6.802 -3.023 1.00 0.00 N ATOM 605 CA GLU A 455 14.439 -6.779 -2.401 1.00 0.00 C ATOM 606 C GLU A 455 15.014 -5.365 -2.395 1.00 0.00 C ATOM 607 O GLU A 455 15.500 -4.886 -1.371 1.00 0.00 O ATOM 608 CB GLU A 455 15.391 -7.725 -3.136 1.00 0.00 C ATOM 609 CG GLU A 455 14.936 -9.175 -3.125 1.00 0.00 C ATOM 610 CD GLU A 455 15.645 -10.017 -4.169 1.00 0.00 C ATOM 611 OE1 GLU A 455 16.829 -10.350 -3.959 1.00 0.00 O ATOM 612 OE2 GLU A 455 15.014 -10.342 -5.197 1.00 0.00 O ATOM 0 H GLU A 455 13.088 -7.278 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 455 14.331 -7.113 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 455 15.494 -7.393 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 455 16.379 -7.659 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 455 15.115 -9.601 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 455 13.861 -9.216 -3.300 1.00 0.00 H new ATOM 619 N ASP A 456 14.955 -4.705 -3.546 1.00 0.00 N ATOM 620 CA ASP A 456 15.469 -3.346 -3.675 1.00 0.00 C ATOM 621 C ASP A 456 14.879 -2.438 -2.601 1.00 0.00 C ATOM 622 O ASP A 456 15.607 -1.856 -1.796 1.00 0.00 O ATOM 623 CB ASP A 456 15.153 -2.788 -5.063 1.00 0.00 C ATOM 624 CG ASP A 456 15.234 -1.275 -5.111 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.340 -0.748 -5.355 1.00 0.00 O ATOM 626 OD2 ASP A 456 14.193 -0.617 -4.904 1.00 0.00 O ATOM 0 H ASP A 456 14.557 -5.088 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 456 16.551 -3.379 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.849 -3.209 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.153 -3.105 -5.360 1.00 0.00 H new ATOM 631 N LEU A 457 13.556 -2.320 -2.595 1.00 0.00 N ATOM 632 CA LEU A 457 12.867 -1.481 -1.620 1.00 0.00 C ATOM 633 C LEU A 457 12.894 -2.121 -0.236 1.00 0.00 C ATOM 634 O LEU A 457 12.086 -2.997 0.072 1.00 0.00 O ATOM 635 CB LEU A 457 11.420 -1.243 -2.056 1.00 0.00 C ATOM 636 CG LEU A 457 11.230 -0.549 -3.405 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.789 -0.676 -3.873 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.636 0.915 -3.313 1.00 0.00 C ATOM 0 H LEU A 457 12.939 -2.794 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 457 13.387 -0.524 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 457 10.909 -2.205 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 457 10.925 -0.646 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 457 11.872 -1.038 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.673 -0.176 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.532 -1.730 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.127 -0.213 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.494 1.393 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.020 1.417 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.685 0.984 -3.024 1.00 0.00 H new ATOM 650 N LYS A 458 13.828 -1.674 0.598 1.00 0.00 N ATOM 651 CA LYS A 458 13.960 -2.199 1.952 1.00 0.00 C ATOM 652 C LYS A 458 12.929 -1.569 2.882 1.00 0.00 C ATOM 653 O LYS A 458 12.130 -2.270 3.503 1.00 0.00 O ATOM 654 CB LYS A 458 15.371 -1.940 2.486 1.00 0.00 C ATOM 655 CG LYS A 458 15.551 -2.331 3.943 1.00 0.00 C ATOM 656 CD LYS A 458 17.009 -2.603 4.271 1.00 0.00 C ATOM 657 CE LYS A 458 17.721 -1.340 4.731 1.00 0.00 C ATOM 658 NZ LYS A 458 17.277 -0.915 6.087 1.00 0.00 N ATOM 0 H LYS A 458 14.505 -0.949 0.359 1.00 0.00 H new ATOM 0 HA LYS A 458 13.783 -3.274 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.087 -2.493 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.606 -0.882 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.176 -1.533 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 458 14.957 -3.219 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.072 -3.362 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.512 -3.006 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 458 18.797 -1.512 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.532 -0.537 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 17.974 -0.257 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 16.354 -0.441 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 17.192 -1.749 6.702 1.00 0.00 H new ATOM 672 N ASP A 459 12.952 -0.244 2.973 1.00 0.00 N ATOM 673 CA ASP A 459 12.017 0.480 3.826 1.00 0.00 C ATOM 674 C ASP A 459 10.617 0.481 3.220 1.00 0.00 C ATOM 675 O ASP A 459 10.436 0.138 2.052 1.00 0.00 O ATOM 676 CB ASP A 459 12.496 1.917 4.038 1.00 0.00 C ATOM 677 CG ASP A 459 12.801 2.625 2.732 1.00 0.00 C ATOM 678 OD1 ASP A 459 11.853 3.132 2.097 1.00 0.00 O ATOM 679 OD2 ASP A 459 13.987 2.670 2.345 1.00 0.00 O ATOM 0 H ASP A 459 13.608 0.351 2.467 1.00 0.00 H new ATOM 0 HA ASP A 459 11.975 -0.027 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 459 11.733 2.475 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.390 1.911 4.662 1.00 0.00 H new ATOM 684 N MET A 460 9.631 0.869 4.022 1.00 0.00 N ATOM 685 CA MET A 460 8.247 0.914 3.564 1.00 0.00 C ATOM 686 C MET A 460 7.981 2.185 2.763 1.00 0.00 C ATOM 687 O MET A 460 8.804 3.101 2.742 1.00 0.00 O ATOM 688 CB MET A 460 7.290 0.839 4.755 1.00 0.00 C ATOM 689 CG MET A 460 7.303 2.086 5.625 1.00 0.00 C ATOM 690 SD MET A 460 8.566 2.023 6.910 1.00 0.00 S ATOM 691 CE MET A 460 8.063 3.395 7.946 1.00 0.00 C ATOM 0 H MET A 460 9.764 1.157 4.991 1.00 0.00 H new ATOM 0 HA MET A 460 8.077 0.054 2.916 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.277 0.673 4.387 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.552 -0.024 5.367 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.472 2.961 4.997 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.324 2.211 6.089 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.749 3.486 8.788 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.080 4.316 7.363 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.054 3.219 8.318 1.00 0.00 H new ATOM 701 N LEU A 461 6.828 2.233 2.104 1.00 0.00 N ATOM 702 CA LEU A 461 6.454 3.392 1.301 1.00 0.00 C ATOM 703 C LEU A 461 5.056 3.879 1.666 1.00 0.00 C ATOM 704 O LEU A 461 4.362 3.257 2.469 1.00 0.00 O ATOM 705 CB LEU A 461 6.513 3.046 -0.188 1.00 0.00 C ATOM 706 CG LEU A 461 7.909 2.828 -0.772 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.420 1.437 -0.429 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.896 3.037 -2.279 1.00 0.00 C ATOM 0 H LEU A 461 6.137 1.483 2.110 1.00 0.00 H new ATOM 0 HA LEU A 461 7.164 4.192 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.927 2.142 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.029 3.847 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 461 8.585 3.560 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.415 1.300 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.468 1.324 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.743 0.689 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.898 2.878 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.206 2.329 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.574 4.054 -2.502 1.00 0.00 H new ATOM 720 N GLU A 462 4.649 4.995 1.070 1.00 0.00 N ATOM 721 CA GLU A 462 3.332 5.565 1.332 1.00 0.00 C ATOM 722 C GLU A 462 2.641 5.959 0.030 1.00 0.00 C ATOM 723 O GLU A 462 3.215 6.658 -0.804 1.00 0.00 O ATOM 724 CB GLU A 462 3.453 6.785 2.248 1.00 0.00 C ATOM 725 CG GLU A 462 4.232 6.513 3.524 1.00 0.00 C ATOM 726 CD GLU A 462 4.932 7.749 4.054 1.00 0.00 C ATOM 727 OE1 GLU A 462 4.359 8.852 3.934 1.00 0.00 O ATOM 728 OE2 GLU A 462 6.053 7.614 4.588 1.00 0.00 O ATOM 0 H GLU A 462 5.212 5.523 0.403 1.00 0.00 H new ATOM 0 HA GLU A 462 2.728 4.806 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.939 7.593 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.454 7.133 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.553 6.130 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.971 5.734 3.335 1.00 0.00 H new ATOM 735 N PHE A 463 1.403 5.504 -0.136 1.00 0.00 N ATOM 736 CA PHE A 463 0.632 5.807 -1.337 1.00 0.00 C ATOM 737 C PHE A 463 -0.795 6.212 -0.979 1.00 0.00 C ATOM 738 O PHE A 463 -1.352 5.789 0.034 1.00 0.00 O ATOM 739 CB PHE A 463 0.612 4.597 -2.274 1.00 0.00 C ATOM 740 CG PHE A 463 1.910 3.843 -2.308 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.951 4.266 -3.120 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.090 2.711 -1.530 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.147 3.575 -3.153 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.284 2.016 -1.559 1.00 0.00 C ATOM 745 CZ PHE A 463 4.313 2.447 -2.373 1.00 0.00 C ATOM 0 H PHE A 463 0.913 4.925 0.545 1.00 0.00 H new ATOM 0 HA PHE A 463 1.111 6.644 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.184 3.920 -1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.370 4.933 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.826 5.146 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.288 2.368 -0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.951 3.916 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.412 1.136 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.246 1.903 -2.400 1.00 0.00 H new ATOM 755 N PRO A 464 -1.401 7.053 -1.830 1.00 0.00 N ATOM 756 CA PRO A 464 -2.770 7.535 -1.626 1.00 0.00 C ATOM 757 C PRO A 464 -3.807 6.434 -1.821 1.00 0.00 C ATOM 758 O PRO A 464 -3.732 5.659 -2.774 1.00 0.00 O ATOM 759 CB PRO A 464 -2.930 8.615 -2.698 1.00 0.00 C ATOM 760 CG PRO A 464 -1.960 8.238 -3.764 1.00 0.00 C ATOM 761 CD PRO A 464 -0.797 7.598 -3.057 1.00 0.00 C ATOM 0 HA PRO A 464 -2.927 7.897 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -3.950 8.643 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.713 9.605 -2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.412 7.548 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.640 9.114 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.341 6.815 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.015 8.323 -2.832 1.00 0.00 H new ATOM 769 N ALA A 465 -4.775 6.371 -0.912 1.00 0.00 N ATOM 770 CA ALA A 465 -5.829 5.367 -0.987 1.00 0.00 C ATOM 771 C ALA A 465 -6.284 5.153 -2.426 1.00 0.00 C ATOM 772 O ALA A 465 -6.791 4.088 -2.775 1.00 0.00 O ATOM 773 CB ALA A 465 -7.007 5.772 -0.113 1.00 0.00 C ATOM 0 H ALA A 465 -4.851 7.003 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.424 4.424 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -7.787 5.013 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.677 5.865 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.402 6.729 -0.455 1.00 0.00 H new ATOM 779 N GLN A 466 -6.100 6.174 -3.257 1.00 0.00 N ATOM 780 CA GLN A 466 -6.493 6.098 -4.659 1.00 0.00 C ATOM 781 C GLN A 466 -5.532 5.214 -5.447 1.00 0.00 C ATOM 782 O GLN A 466 -5.954 4.304 -6.160 1.00 0.00 O ATOM 783 CB GLN A 466 -6.539 7.497 -5.275 1.00 0.00 C ATOM 784 CG GLN A 466 -7.023 8.570 -4.313 1.00 0.00 C ATOM 785 CD GLN A 466 -7.729 9.711 -5.019 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.444 9.503 -5.999 1.00 0.00 O ATOM 787 NE2 GLN A 466 -7.530 10.927 -4.523 1.00 0.00 N ATOM 0 H GLN A 466 -5.681 7.063 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.488 5.655 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -5.543 7.762 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.194 7.480 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -7.701 8.122 -3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -6.173 8.963 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -6.929 11.054 -3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -7.978 11.734 -4.956 1.00 0.00 H new ATOM 796 N GLU A 467 -4.238 5.488 -5.313 1.00 0.00 N ATOM 797 CA GLU A 467 -3.218 4.718 -6.014 1.00 0.00 C ATOM 798 C GLU A 467 -3.315 3.237 -5.659 1.00 0.00 C ATOM 799 O GLU A 467 -3.113 2.369 -6.509 1.00 0.00 O ATOM 800 CB GLU A 467 -1.823 5.245 -5.671 1.00 0.00 C ATOM 801 CG GLU A 467 -1.343 6.346 -6.601 1.00 0.00 C ATOM 802 CD GLU A 467 -1.513 5.988 -8.065 1.00 0.00 C ATOM 803 OE1 GLU A 467 -1.609 4.782 -8.374 1.00 0.00 O ATOM 804 OE2 GLU A 467 -1.550 6.915 -8.901 1.00 0.00 O ATOM 0 H GLU A 467 -3.872 6.237 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.387 4.830 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.827 5.621 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.113 4.418 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.894 7.262 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.292 6.553 -6.401 1.00 0.00 H new ATOM 811 N LEU A 468 -3.624 2.956 -4.398 1.00 0.00 N ATOM 812 CA LEU A 468 -3.748 1.580 -3.929 1.00 0.00 C ATOM 813 C LEU A 468 -5.185 1.086 -4.064 1.00 0.00 C ATOM 814 O LEU A 468 -6.120 1.729 -3.586 1.00 0.00 O ATOM 815 CB LEU A 468 -3.294 1.474 -2.472 1.00 0.00 C ATOM 816 CG LEU A 468 -1.807 1.714 -2.213 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.539 1.850 -0.722 1.00 0.00 C ATOM 818 CD2 LEU A 468 -0.974 0.587 -2.806 1.00 0.00 C ATOM 0 H LEU A 468 -3.793 3.662 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.108 0.952 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.865 2.190 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.551 0.481 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.519 2.646 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.475 2.020 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.107 2.692 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.843 0.935 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.082 0.774 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.264 -0.359 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.142 0.537 -3.882 1.00 0.00 H new ATOM 830 N ARG A 469 -5.352 -0.060 -4.715 1.00 0.00 N ATOM 831 CA ARG A 469 -6.675 -0.641 -4.911 1.00 0.00 C ATOM 832 C ARG A 469 -6.670 -2.131 -4.579 1.00 0.00 C ATOM 833 O ARG A 469 -5.637 -2.795 -4.672 1.00 0.00 O ATOM 834 CB ARG A 469 -7.139 -0.431 -6.353 1.00 0.00 C ATOM 835 CG ARG A 469 -7.632 0.979 -6.635 1.00 0.00 C ATOM 836 CD ARG A 469 -8.470 1.033 -7.903 1.00 0.00 C ATOM 837 NE ARG A 469 -9.473 2.092 -7.852 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.210 2.458 -8.895 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.057 1.852 -10.064 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.103 3.431 -8.769 1.00 0.00 N ATOM 0 H ARG A 469 -4.588 -0.605 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.368 -0.138 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.315 -0.660 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.939 -1.138 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -8.224 1.334 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.779 1.651 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -7.818 1.193 -8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.964 0.073 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.616 2.578 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -9.372 1.103 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -10.624 2.135 -10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -11.224 3.899 -7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -11.668 3.711 -9.570 1.00 0.00 H new ATOM 854 N LYS A 470 -7.829 -2.649 -4.190 1.00 0.00 N ATOM 855 CA LYS A 470 -7.960 -4.060 -3.844 1.00 0.00 C ATOM 856 C LYS A 470 -8.228 -4.902 -5.087 1.00 0.00 C ATOM 857 O LYS A 470 -9.252 -4.739 -5.751 1.00 0.00 O ATOM 858 CB LYS A 470 -9.089 -4.255 -2.830 1.00 0.00 C ATOM 859 CG LYS A 470 -8.761 -3.726 -1.445 1.00 0.00 C ATOM 860 CD LYS A 470 -9.157 -2.267 -1.296 1.00 0.00 C ATOM 861 CE LYS A 470 -8.276 -1.551 -0.284 1.00 0.00 C ATOM 862 NZ LYS A 470 -8.548 -2.006 1.108 1.00 0.00 N ATOM 0 H LYS A 470 -8.693 -2.113 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 470 -7.020 -4.388 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -9.986 -3.756 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -9.322 -5.317 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -9.279 -4.323 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -7.693 -3.835 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -9.082 -1.768 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -10.199 -2.202 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -7.228 -1.728 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -8.442 -0.476 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -7.928 -1.495 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -9.542 -1.814 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -8.365 -3.027 1.182 1.00 0.00 H new ATOM 876 N TYR A 471 -7.302 -5.803 -5.396 1.00 0.00 N ATOM 877 CA TYR A 471 -7.437 -6.670 -6.560 1.00 0.00 C ATOM 878 C TYR A 471 -8.896 -7.056 -6.785 1.00 0.00 C ATOM 879 O TYR A 471 -9.353 -7.158 -7.922 1.00 0.00 O ATOM 880 CB TYR A 471 -6.586 -7.929 -6.387 1.00 0.00 C ATOM 881 CG TYR A 471 -5.170 -7.645 -5.939 1.00 0.00 C ATOM 882 CD1 TYR A 471 -4.877 -7.419 -4.600 1.00 0.00 C ATOM 883 CD2 TYR A 471 -4.126 -7.603 -6.854 1.00 0.00 C ATOM 884 CE1 TYR A 471 -3.585 -7.158 -4.186 1.00 0.00 C ATOM 885 CE2 TYR A 471 -2.831 -7.345 -6.449 1.00 0.00 C ATOM 886 CZ TYR A 471 -2.565 -7.123 -5.114 1.00 0.00 C ATOM 887 OH TYR A 471 -1.277 -6.864 -4.706 1.00 0.00 O ATOM 0 H TYR A 471 -6.449 -5.952 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 471 -7.086 -6.120 -7.433 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -7.064 -8.584 -5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -6.557 -8.471 -7.332 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -5.673 -7.448 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -4.330 -7.775 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -3.375 -6.982 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -2.031 -7.317 -7.174 1.00 0.00 H new ATOM 0 HH TYR A 471 -1.284 -6.558 -3.775 1.00 0.00 H new TER 897 TYR A 471