USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=11 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 437 GLN : amide:sc= 0.185 K(o=0.48,f=-2.5!) USER MOD Set 1.2: A 471 TYR OH : rot -87:sc= 0.292 USER MOD Single : A 414 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc=-0.00698 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= -0.107 K(o=-0.11,f=-1.9!) USER MOD Single : A 425 ASN : amide:sc= -0.505 K(o=-0.5,f=-4.1!) USER MOD Single : A 429 CYS SG : rot -58:sc= -0.197 USER MOD Single : A 435 ASN : amide:sc= -0.16 K(o=-0.16,f=-2!) USER MOD Single : A 439 LYS NZ :NH3+ 165:sc= -0.0166 (180deg=-0.17) USER MOD Single : A 442 SER OG : rot 180:sc= -0.0916 USER MOD Single : A 446 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.25) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 140:sc=-0.00158 (180deg=-0.257) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.15) USER MOD Single : A 470 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0702) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -4.088 -5.812 21.911 1.00 0.00 N ATOM 2 CA GLY A 413 -5.330 -5.063 21.882 1.00 0.00 C ATOM 3 C GLY A 413 -5.978 -5.066 20.512 1.00 0.00 C ATOM 4 O GLY A 413 -5.295 -5.191 19.495 1.00 0.00 O ATOM 0 HA2 GLY A 413 -6.023 -5.487 22.609 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -5.137 -4.034 22.187 1.00 0.00 H new ATOM 8 N SER A 414 -7.300 -4.930 20.483 1.00 0.00 N ATOM 9 CA SER A 414 -8.040 -4.924 19.227 1.00 0.00 C ATOM 10 C SER A 414 -8.851 -3.639 19.081 1.00 0.00 C ATOM 11 O SER A 414 -9.838 -3.432 19.786 1.00 0.00 O ATOM 12 CB SER A 414 -8.969 -6.137 19.151 1.00 0.00 C ATOM 13 OG SER A 414 -8.227 -7.344 19.100 1.00 0.00 O ATOM 0 H SER A 414 -7.880 -4.823 21.315 1.00 0.00 H new ATOM 0 HA SER A 414 -7.320 -4.975 18.410 1.00 0.00 H new ATOM 0 HB2 SER A 414 -9.629 -6.148 20.018 1.00 0.00 H new ATOM 0 HB3 SER A 414 -9.604 -6.059 18.268 1.00 0.00 H new ATOM 0 HG SER A 414 -8.843 -8.105 19.054 1.00 0.00 H new ATOM 19 N SER A 415 -8.425 -2.780 18.161 1.00 0.00 N ATOM 20 CA SER A 415 -9.108 -1.513 17.924 1.00 0.00 C ATOM 21 C SER A 415 -9.632 -1.437 16.493 1.00 0.00 C ATOM 22 O SER A 415 -9.264 -2.247 15.642 1.00 0.00 O ATOM 23 CB SER A 415 -8.163 -0.341 18.196 1.00 0.00 C ATOM 24 OG SER A 415 -8.875 0.882 18.268 1.00 0.00 O ATOM 0 H SER A 415 -7.611 -2.938 17.568 1.00 0.00 H new ATOM 0 HA SER A 415 -9.956 -1.453 18.606 1.00 0.00 H new ATOM 0 HB2 SER A 415 -7.629 -0.510 19.131 1.00 0.00 H new ATOM 0 HB3 SER A 415 -7.414 -0.283 17.407 1.00 0.00 H new ATOM 0 HG SER A 415 -8.249 1.615 18.444 1.00 0.00 H new ATOM 30 N GLY A 416 -10.493 -0.458 16.235 1.00 0.00 N ATOM 31 CA GLY A 416 -11.054 -0.293 14.907 1.00 0.00 C ATOM 32 C GLY A 416 -11.125 1.160 14.484 1.00 0.00 C ATOM 33 O GLY A 416 -11.634 2.004 15.221 1.00 0.00 O ATOM 0 H GLY A 416 -10.812 0.224 16.923 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -10.450 -0.848 14.189 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -12.055 -0.725 14.883 1.00 0.00 H new ATOM 37 N SER A 417 -10.612 1.454 13.293 1.00 0.00 N ATOM 38 CA SER A 417 -10.615 2.818 12.775 1.00 0.00 C ATOM 39 C SER A 417 -11.568 2.947 11.591 1.00 0.00 C ATOM 40 O SER A 417 -11.693 2.032 10.777 1.00 0.00 O ATOM 41 CB SER A 417 -9.203 3.229 12.354 1.00 0.00 C ATOM 42 OG SER A 417 -8.278 3.030 13.410 1.00 0.00 O ATOM 0 H SER A 417 -10.189 0.767 12.669 1.00 0.00 H new ATOM 0 HA SER A 417 -10.958 3.481 13.569 1.00 0.00 H new ATOM 0 HB2 SER A 417 -8.896 2.649 11.483 1.00 0.00 H new ATOM 0 HB3 SER A 417 -9.200 4.277 12.056 1.00 0.00 H new ATOM 0 HG SER A 417 -7.383 3.298 13.116 1.00 0.00 H new ATOM 48 N SER A 418 -12.240 4.090 11.503 1.00 0.00 N ATOM 49 CA SER A 418 -13.186 4.340 10.421 1.00 0.00 C ATOM 50 C SER A 418 -12.471 4.387 9.074 1.00 0.00 C ATOM 51 O SER A 418 -11.767 5.347 8.765 1.00 0.00 O ATOM 52 CB SER A 418 -13.933 5.653 10.661 1.00 0.00 C ATOM 53 OG SER A 418 -14.863 5.524 11.722 1.00 0.00 O ATOM 0 H SER A 418 -12.147 4.858 12.168 1.00 0.00 H new ATOM 0 HA SER A 418 -13.904 3.520 10.403 1.00 0.00 H new ATOM 0 HB2 SER A 418 -13.220 6.444 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 418 -14.454 5.950 9.751 1.00 0.00 H new ATOM 0 HG SER A 418 -15.326 6.377 11.857 1.00 0.00 H new ATOM 59 N GLY A 419 -12.657 3.340 8.276 1.00 0.00 N ATOM 60 CA GLY A 419 -12.024 3.280 6.971 1.00 0.00 C ATOM 61 C GLY A 419 -11.434 1.916 6.675 1.00 0.00 C ATOM 62 O GLY A 419 -12.026 0.889 7.010 1.00 0.00 O ATOM 0 H GLY A 419 -13.235 2.532 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -12.757 3.530 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -11.237 4.032 6.917 1.00 0.00 H new ATOM 66 N PHE A 420 -10.265 1.902 6.042 1.00 0.00 N ATOM 67 CA PHE A 420 -9.597 0.653 5.698 1.00 0.00 C ATOM 68 C PHE A 420 -8.691 0.189 6.835 1.00 0.00 C ATOM 69 O PHE A 420 -8.294 0.983 7.688 1.00 0.00 O ATOM 70 CB PHE A 420 -8.778 0.825 4.417 1.00 0.00 C ATOM 71 CG PHE A 420 -9.620 1.024 3.189 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.261 -0.049 2.591 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.771 2.284 2.633 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.037 0.130 1.462 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.546 2.469 1.504 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.179 1.391 0.917 1.00 0.00 C ATOM 0 H PHE A 420 -9.761 2.742 5.757 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.362 -0.106 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.112 1.680 4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.148 -0.053 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.153 -1.037 3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.278 3.131 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.532 -0.715 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.657 3.456 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.784 1.534 0.034 1.00 0.00 H new ATOM 86 N GLN A 421 -8.370 -1.100 6.839 1.00 0.00 N ATOM 87 CA GLN A 421 -7.513 -1.670 7.872 1.00 0.00 C ATOM 88 C GLN A 421 -6.292 -2.344 7.255 1.00 0.00 C ATOM 89 O GLN A 421 -6.365 -2.969 6.197 1.00 0.00 O ATOM 90 CB GLN A 421 -8.295 -2.679 8.715 1.00 0.00 C ATOM 91 CG GLN A 421 -9.533 -2.091 9.374 1.00 0.00 C ATOM 92 CD GLN A 421 -10.552 -3.149 9.750 1.00 0.00 C ATOM 93 OE1 GLN A 421 -10.504 -4.276 9.257 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.481 -2.790 10.628 1.00 0.00 N ATOM 0 H GLN A 421 -8.690 -1.769 6.139 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.172 -0.858 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.593 -3.515 8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.639 -3.081 9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.238 -1.542 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -9.994 -1.372 8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.483 -1.845 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -12.193 -3.460 10.920 1.00 0.00 H new ATOM 103 N PRO A 422 -5.140 -2.215 7.931 1.00 0.00 N ATOM 104 CA PRO A 422 -3.880 -2.805 7.467 1.00 0.00 C ATOM 105 C PRO A 422 -3.882 -4.327 7.566 1.00 0.00 C ATOM 106 O PRO A 422 -4.663 -4.909 8.318 1.00 0.00 O ATOM 107 CB PRO A 422 -2.839 -2.208 8.417 1.00 0.00 C ATOM 108 CG PRO A 422 -3.600 -1.876 9.654 1.00 0.00 C ATOM 109 CD PRO A 422 -4.979 -1.484 9.199 1.00 0.00 C ATOM 0 HA PRO A 422 -3.691 -2.589 6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.038 -2.918 8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.375 -1.320 7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.640 -2.731 10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.123 -1.062 10.199 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.739 -1.769 9.927 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.064 -0.407 9.056 1.00 0.00 H new ATOM 117 N GLY A 423 -3.001 -4.966 6.802 1.00 0.00 N ATOM 118 CA GLY A 423 -2.918 -6.415 6.820 1.00 0.00 C ATOM 119 C GLY A 423 -3.230 -7.029 5.470 1.00 0.00 C ATOM 120 O GLY A 423 -2.589 -7.996 5.057 1.00 0.00 O ATOM 0 H GLY A 423 -2.344 -4.507 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.917 -6.715 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.612 -6.807 7.563 1.00 0.00 H new ATOM 124 N ASP A 424 -4.217 -6.469 4.780 1.00 0.00 N ATOM 125 CA ASP A 424 -4.614 -6.969 3.469 1.00 0.00 C ATOM 126 C ASP A 424 -3.500 -6.759 2.448 1.00 0.00 C ATOM 127 O ASP A 424 -2.490 -6.120 2.739 1.00 0.00 O ATOM 128 CB ASP A 424 -5.891 -6.271 2.999 1.00 0.00 C ATOM 129 CG ASP A 424 -7.122 -6.756 3.740 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.289 -7.987 3.872 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.917 -5.904 4.190 1.00 0.00 O ATOM 0 H ASP A 424 -4.757 -5.668 5.107 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.805 -8.038 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.786 -5.195 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.023 -6.442 1.931 1.00 0.00 H new ATOM 136 N ASN A 425 -3.692 -7.302 1.250 1.00 0.00 N ATOM 137 CA ASN A 425 -2.702 -7.176 0.186 1.00 0.00 C ATOM 138 C ASN A 425 -3.242 -6.327 -0.961 1.00 0.00 C ATOM 139 O ASN A 425 -4.150 -6.744 -1.681 1.00 0.00 O ATOM 140 CB ASN A 425 -2.301 -8.558 -0.332 1.00 0.00 C ATOM 141 CG ASN A 425 -2.292 -9.606 0.764 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.581 -9.472 1.760 1.00 0.00 O ATOM 143 ND2 ASN A 425 -3.083 -10.657 0.584 1.00 0.00 N ATOM 0 H ASN A 425 -4.524 -7.833 0.992 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.823 -6.681 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.993 -8.863 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.311 -8.500 -0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -3.118 -11.395 1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.655 -10.726 -0.257 1.00 0.00 H new ATOM 150 N VAL A 426 -2.678 -5.135 -1.126 1.00 0.00 N ATOM 151 CA VAL A 426 -3.101 -4.229 -2.186 1.00 0.00 C ATOM 152 C VAL A 426 -2.065 -4.169 -3.303 1.00 0.00 C ATOM 153 O VAL A 426 -0.973 -4.723 -3.181 1.00 0.00 O ATOM 154 CB VAL A 426 -3.340 -2.806 -1.646 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.522 -2.790 -0.689 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.086 -2.277 -0.967 1.00 0.00 C ATOM 0 H VAL A 426 -1.926 -4.774 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.037 -4.621 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.574 -2.152 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.676 -1.777 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.418 -3.125 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.320 -3.457 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.272 -1.271 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -1.819 -2.931 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.267 -2.250 -1.686 1.00 0.00 H new ATOM 166 N GLU A 427 -2.416 -3.492 -4.393 1.00 0.00 N ATOM 167 CA GLU A 427 -1.516 -3.360 -5.532 1.00 0.00 C ATOM 168 C GLU A 427 -1.812 -2.083 -6.314 1.00 0.00 C ATOM 169 O GLU A 427 -2.970 -1.750 -6.565 1.00 0.00 O ATOM 170 CB GLU A 427 -1.642 -4.576 -6.453 1.00 0.00 C ATOM 171 CG GLU A 427 -0.820 -4.463 -7.726 1.00 0.00 C ATOM 172 CD GLU A 427 -0.796 -5.754 -8.521 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.124 -6.812 -7.944 1.00 0.00 O ATOM 174 OE2 GLU A 427 -0.451 -5.706 -9.720 1.00 0.00 O ATOM 0 H GLU A 427 -3.316 -3.027 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.496 -3.305 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.332 -5.468 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.690 -4.713 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.227 -3.665 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.201 -4.179 -7.471 1.00 0.00 H new ATOM 181 N VAL A 428 -0.756 -1.372 -6.696 1.00 0.00 N ATOM 182 CA VAL A 428 -0.900 -0.133 -7.449 1.00 0.00 C ATOM 183 C VAL A 428 -1.577 -0.381 -8.793 1.00 0.00 C ATOM 184 O VAL A 428 -1.296 -1.373 -9.466 1.00 0.00 O ATOM 185 CB VAL A 428 0.464 0.540 -7.691 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.306 1.766 -8.577 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.118 0.909 -6.368 1.00 0.00 C ATOM 0 H VAL A 428 0.209 -1.634 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.523 0.530 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 428 1.113 -0.169 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.280 2.228 -8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.116 1.469 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.359 2.481 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.081 1.383 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.474 1.600 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.268 0.008 -5.773 1.00 0.00 H new ATOM 197 N CYS A 429 -2.469 0.525 -9.176 1.00 0.00 N ATOM 198 CA CYS A 429 -3.187 0.404 -10.440 1.00 0.00 C ATOM 199 C CYS A 429 -2.530 1.254 -11.522 1.00 0.00 C ATOM 200 O CYS A 429 -2.421 0.834 -12.674 1.00 0.00 O ATOM 201 CB CYS A 429 -4.648 0.821 -10.263 1.00 0.00 C ATOM 202 SG CYS A 429 -4.864 2.502 -9.633 1.00 0.00 S ATOM 0 H CYS A 429 -2.713 1.351 -8.630 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.150 -0.640 -10.752 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.158 0.736 -11.223 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -5.134 0.123 -9.581 1.00 0.00 H new ATOM 0 HG CYS A 429 -4.257 2.618 -8.489 1.00 0.00 H new ATOM 208 N GLU A 430 -2.096 2.452 -11.144 1.00 0.00 N ATOM 209 CA GLU A 430 -1.452 3.362 -12.083 1.00 0.00 C ATOM 210 C GLU A 430 -0.280 4.085 -11.425 1.00 0.00 C ATOM 211 O GLU A 430 -0.136 4.072 -10.203 1.00 0.00 O ATOM 212 CB GLU A 430 -2.462 4.383 -12.613 1.00 0.00 C ATOM 213 CG GLU A 430 -1.929 5.229 -13.757 1.00 0.00 C ATOM 214 CD GLU A 430 -1.401 4.392 -14.905 1.00 0.00 C ATOM 215 OE1 GLU A 430 -0.227 3.969 -14.841 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.160 4.159 -15.869 1.00 0.00 O ATOM 0 H GLU A 430 -2.179 2.815 -10.194 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.071 2.772 -12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.356 3.857 -12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.765 5.039 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.723 5.881 -14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.132 5.874 -13.386 1.00 0.00 H new ATOM 223 N GLY A 431 0.556 4.714 -12.245 1.00 0.00 N ATOM 224 CA GLY A 431 1.705 5.433 -11.725 1.00 0.00 C ATOM 225 C GLY A 431 3.000 4.669 -11.914 1.00 0.00 C ATOM 226 O GLY A 431 3.026 3.443 -11.807 1.00 0.00 O ATOM 0 H GLY A 431 0.458 4.739 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 431 1.781 6.400 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.556 5.632 -10.664 1.00 0.00 H new ATOM 230 N GLU A 432 4.078 5.394 -12.197 1.00 0.00 N ATOM 231 CA GLU A 432 5.382 4.775 -12.403 1.00 0.00 C ATOM 232 C GLU A 432 5.559 3.563 -11.494 1.00 0.00 C ATOM 233 O GLU A 432 6.188 2.574 -11.873 1.00 0.00 O ATOM 234 CB GLU A 432 6.499 5.789 -12.144 1.00 0.00 C ATOM 235 CG GLU A 432 6.503 6.953 -13.120 1.00 0.00 C ATOM 236 CD GLU A 432 7.346 6.680 -14.350 1.00 0.00 C ATOM 237 OE1 GLU A 432 7.246 5.565 -14.903 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.106 7.583 -14.760 1.00 0.00 O ATOM 0 H GLU A 432 4.074 6.410 -12.289 1.00 0.00 H new ATOM 0 HA GLU A 432 5.437 4.441 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.399 6.176 -11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.461 5.279 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 432 5.479 7.169 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 432 6.880 7.843 -12.616 1.00 0.00 H new ATOM 245 N LEU A 433 5.000 3.646 -10.292 1.00 0.00 N ATOM 246 CA LEU A 433 5.096 2.556 -9.326 1.00 0.00 C ATOM 247 C LEU A 433 3.966 1.551 -9.526 1.00 0.00 C ATOM 248 O LEU A 433 3.402 1.037 -8.560 1.00 0.00 O ATOM 249 CB LEU A 433 5.057 3.107 -7.900 1.00 0.00 C ATOM 250 CG LEU A 433 6.347 3.755 -7.396 1.00 0.00 C ATOM 251 CD1 LEU A 433 6.066 4.637 -6.189 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.379 2.691 -7.051 1.00 0.00 C ATOM 0 H LEU A 433 4.475 4.456 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 433 6.045 2.045 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.256 3.843 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.795 2.293 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 433 6.751 4.381 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.996 5.089 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 433 5.362 5.421 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.638 4.033 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.291 3.170 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.983 2.039 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.604 2.100 -7.939 1.00 0.00 H new ATOM 264 N ILE A 434 3.642 1.275 -10.785 1.00 0.00 N ATOM 265 CA ILE A 434 2.582 0.329 -11.111 1.00 0.00 C ATOM 266 C ILE A 434 3.071 -1.110 -10.983 1.00 0.00 C ATOM 267 O ILE A 434 4.274 -1.367 -10.950 1.00 0.00 O ATOM 268 CB ILE A 434 2.047 0.552 -12.537 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.815 -0.319 -12.785 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.130 0.252 -13.562 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.032 0.077 -14.018 1.00 0.00 C ATOM 0 H ILE A 434 4.098 1.693 -11.596 1.00 0.00 H new ATOM 0 HA ILE A 434 1.776 0.501 -10.398 1.00 0.00 H new ATOM 0 HB ILE A 434 1.756 1.597 -12.641 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.129 -1.358 -12.882 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.160 -0.264 -11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.736 0.414 -14.565 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.982 0.912 -13.395 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.449 -0.785 -13.461 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.828 -0.584 -14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.312 1.106 -13.915 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.671 -0.006 -14.897 1.00 0.00 H new ATOM 283 N ASN A 435 2.130 -2.045 -10.912 1.00 0.00 N ATOM 284 CA ASN A 435 2.464 -3.459 -10.790 1.00 0.00 C ATOM 285 C ASN A 435 3.221 -3.728 -9.492 1.00 0.00 C ATOM 286 O ASN A 435 4.055 -4.632 -9.423 1.00 0.00 O ATOM 287 CB ASN A 435 3.304 -3.912 -11.986 1.00 0.00 C ATOM 288 CG ASN A 435 2.449 -4.379 -13.148 1.00 0.00 C ATOM 289 OD1 ASN A 435 1.307 -4.800 -12.963 1.00 0.00 O ATOM 290 ND2 ASN A 435 3.000 -4.308 -14.354 1.00 0.00 N ATOM 0 H ASN A 435 1.129 -1.849 -10.937 1.00 0.00 H new ATOM 0 HA ASN A 435 1.534 -4.026 -10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.939 -3.089 -12.313 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.965 -4.721 -11.677 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.473 -4.609 -15.174 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.950 -3.952 -14.461 1.00 0.00 H new ATOM 297 N LEU A 436 2.924 -2.939 -8.466 1.00 0.00 N ATOM 298 CA LEU A 436 3.575 -3.092 -7.170 1.00 0.00 C ATOM 299 C LEU A 436 2.583 -3.569 -6.115 1.00 0.00 C ATOM 300 O LEU A 436 1.772 -2.790 -5.615 1.00 0.00 O ATOM 301 CB LEU A 436 4.203 -1.767 -6.733 1.00 0.00 C ATOM 302 CG LEU A 436 5.153 -1.836 -5.537 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.466 -2.493 -5.935 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.401 -0.446 -4.971 1.00 0.00 C ATOM 0 H LEU A 436 2.236 -2.187 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 436 4.358 -3.843 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.747 -1.349 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.401 -1.069 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 436 4.686 -2.444 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 436 7.129 -2.533 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.273 -3.505 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.938 -1.912 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.079 -0.515 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.846 0.186 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.456 -0.011 -4.647 1.00 0.00 H new ATOM 316 N GLN A 437 2.655 -4.853 -5.780 1.00 0.00 N ATOM 317 CA GLN A 437 1.763 -5.434 -4.783 1.00 0.00 C ATOM 318 C GLN A 437 2.478 -5.605 -3.447 1.00 0.00 C ATOM 319 O GLN A 437 3.671 -5.903 -3.403 1.00 0.00 O ATOM 320 CB GLN A 437 1.232 -6.784 -5.267 1.00 0.00 C ATOM 321 CG GLN A 437 2.323 -7.810 -5.525 1.00 0.00 C ATOM 322 CD GLN A 437 1.813 -9.236 -5.450 1.00 0.00 C ATOM 323 OE1 GLN A 437 0.922 -9.548 -4.659 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.377 -10.111 -6.274 1.00 0.00 N ATOM 0 H GLN A 437 3.322 -5.511 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 437 0.925 -4.752 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.540 -7.181 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.662 -6.633 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.756 -7.634 -6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.123 -7.675 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 437 3.112 -9.809 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.075 -11.085 -6.268 1.00 0.00 H new ATOM 333 N GLY A 438 1.741 -5.413 -2.357 1.00 0.00 N ATOM 334 CA GLY A 438 2.322 -5.550 -1.034 1.00 0.00 C ATOM 335 C GLY A 438 1.271 -5.653 0.053 1.00 0.00 C ATOM 336 O GLY A 438 0.072 -5.634 -0.228 1.00 0.00 O ATOM 0 H GLY A 438 0.752 -5.165 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.955 -6.437 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.966 -4.694 -0.833 1.00 0.00 H new ATOM 340 N LYS A 439 1.719 -5.765 1.299 1.00 0.00 N ATOM 341 CA LYS A 439 0.810 -5.872 2.433 1.00 0.00 C ATOM 342 C LYS A 439 0.680 -4.534 3.154 1.00 0.00 C ATOM 343 O LYS A 439 1.666 -3.822 3.344 1.00 0.00 O ATOM 344 CB LYS A 439 1.302 -6.943 3.409 1.00 0.00 C ATOM 345 CG LYS A 439 0.750 -8.329 3.119 1.00 0.00 C ATOM 346 CD LYS A 439 1.691 -9.417 3.608 1.00 0.00 C ATOM 347 CE LYS A 439 1.622 -9.576 5.119 1.00 0.00 C ATOM 348 NZ LYS A 439 0.337 -10.189 5.554 1.00 0.00 N ATOM 0 H LYS A 439 2.708 -5.784 1.549 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.171 -6.158 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.391 -6.980 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.024 -6.655 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.221 -8.443 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.589 -8.441 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.436 -10.362 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.712 -9.176 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 439 2.453 -10.195 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 439 1.738 -8.601 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.423 -10.513 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -0.424 -9.484 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.114 -10.999 4.941 1.00 0.00 H new ATOM 362 N ILE A 440 -0.542 -4.200 3.556 1.00 0.00 N ATOM 363 CA ILE A 440 -0.799 -2.949 4.258 1.00 0.00 C ATOM 364 C ILE A 440 -0.364 -3.038 5.717 1.00 0.00 C ATOM 365 O ILE A 440 -0.659 -4.016 6.406 1.00 0.00 O ATOM 366 CB ILE A 440 -2.290 -2.567 4.202 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.798 -2.618 2.760 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.506 -1.184 4.797 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.306 -2.584 2.648 1.00 0.00 C ATOM 0 H ILE A 440 -1.369 -4.778 3.407 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.216 -2.179 3.753 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.856 -3.287 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.382 -1.776 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.427 -3.526 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.565 -0.929 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.178 -1.180 5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.931 -0.451 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.594 -2.623 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.729 -3.441 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.683 -1.663 3.093 1.00 0.00 H new ATOM 381 N LEU A 441 0.339 -2.011 6.183 1.00 0.00 N ATOM 382 CA LEU A 441 0.814 -1.972 7.562 1.00 0.00 C ATOM 383 C LEU A 441 -0.110 -1.127 8.432 1.00 0.00 C ATOM 384 O LEU A 441 -0.544 -1.562 9.499 1.00 0.00 O ATOM 385 CB LEU A 441 2.237 -1.413 7.616 1.00 0.00 C ATOM 386 CG LEU A 441 3.345 -2.350 7.136 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.649 -1.588 6.957 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.528 -3.503 8.112 1.00 0.00 C ATOM 0 H LEU A 441 0.593 -1.195 5.626 1.00 0.00 H new ATOM 0 HA LEU A 441 0.816 -2.991 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.272 -0.504 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.453 -1.124 8.644 1.00 0.00 H new ATOM 0 HG LEU A 441 3.053 -2.761 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.426 -2.272 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.510 -0.798 6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.947 -1.148 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.321 -4.160 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.797 -3.110 9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.598 -4.066 8.189 1.00 0.00 H new ATOM 400 N SER A 442 -0.409 0.083 7.969 1.00 0.00 N ATOM 401 CA SER A 442 -1.281 0.990 8.706 1.00 0.00 C ATOM 402 C SER A 442 -2.012 1.933 7.756 1.00 0.00 C ATOM 403 O SER A 442 -1.524 2.237 6.667 1.00 0.00 O ATOM 404 CB SER A 442 -0.470 1.799 9.721 1.00 0.00 C ATOM 405 OG SER A 442 0.280 0.947 10.570 1.00 0.00 O ATOM 0 H SER A 442 -0.060 0.458 7.087 1.00 0.00 H new ATOM 0 HA SER A 442 -2.021 0.391 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.202 2.478 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.141 2.415 10.320 1.00 0.00 H new ATOM 0 HG SER A 442 0.790 1.488 11.208 1.00 0.00 H new ATOM 411 N VAL A 443 -3.186 2.393 8.175 1.00 0.00 N ATOM 412 CA VAL A 443 -3.986 3.302 7.363 1.00 0.00 C ATOM 413 C VAL A 443 -4.025 4.697 7.977 1.00 0.00 C ATOM 414 O VAL A 443 -4.472 4.876 9.110 1.00 0.00 O ATOM 415 CB VAL A 443 -5.428 2.786 7.198 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.288 3.821 6.489 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.437 1.465 6.443 1.00 0.00 C ATOM 0 H VAL A 443 -3.605 2.151 9.073 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.511 3.352 6.383 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.850 2.615 8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.303 3.439 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.307 4.741 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.871 4.026 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.463 1.115 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.996 1.607 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.857 0.726 6.996 1.00 0.00 H new ATOM 427 N ASP A 444 -3.553 5.683 7.221 1.00 0.00 N ATOM 428 CA ASP A 444 -3.535 7.064 7.689 1.00 0.00 C ATOM 429 C ASP A 444 -4.432 7.943 6.823 1.00 0.00 C ATOM 430 O ASP A 444 -3.958 8.639 5.927 1.00 0.00 O ATOM 431 CB ASP A 444 -2.106 7.608 7.681 1.00 0.00 C ATOM 432 CG ASP A 444 -1.190 6.844 8.617 1.00 0.00 C ATOM 433 OD1 ASP A 444 -0.997 5.630 8.396 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.668 7.459 9.570 1.00 0.00 O ATOM 0 H ASP A 444 -3.178 5.551 6.282 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.917 7.081 8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.708 7.559 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.119 8.659 7.968 1.00 0.00 H new ATOM 439 N GLY A 445 -5.733 7.904 7.097 1.00 0.00 N ATOM 440 CA GLY A 445 -6.676 8.701 6.334 1.00 0.00 C ATOM 441 C GLY A 445 -6.406 8.647 4.843 1.00 0.00 C ATOM 442 O GLY A 445 -6.473 7.582 4.232 1.00 0.00 O ATOM 0 H GLY A 445 -6.150 7.335 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.688 8.347 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.629 9.736 6.672 1.00 0.00 H new ATOM 446 N ASN A 446 -6.103 9.801 4.257 1.00 0.00 N ATOM 447 CA ASN A 446 -5.825 9.881 2.827 1.00 0.00 C ATOM 448 C ASN A 446 -4.564 9.098 2.473 1.00 0.00 C ATOM 449 O ASN A 446 -4.474 8.497 1.403 1.00 0.00 O ATOM 450 CB ASN A 446 -5.669 11.342 2.398 1.00 0.00 C ATOM 451 CG ASN A 446 -6.620 12.265 3.135 1.00 0.00 C ATOM 452 OD1 ASN A 446 -6.197 13.227 3.776 1.00 0.00 O ATOM 453 ND2 ASN A 446 -7.913 11.976 3.045 1.00 0.00 N ATOM 0 H ASN A 446 -6.044 10.692 4.749 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.667 9.440 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.643 11.663 2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.845 11.424 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -8.601 12.562 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -8.218 11.168 2.502 1.00 0.00 H new ATOM 460 N LYS A 447 -3.593 9.110 3.380 1.00 0.00 N ATOM 461 CA LYS A 447 -2.338 8.400 3.166 1.00 0.00 C ATOM 462 C LYS A 447 -2.423 6.972 3.696 1.00 0.00 C ATOM 463 O LYS A 447 -3.081 6.712 4.704 1.00 0.00 O ATOM 464 CB LYS A 447 -1.186 9.140 3.850 1.00 0.00 C ATOM 465 CG LYS A 447 -0.684 10.340 3.065 1.00 0.00 C ATOM 466 CD LYS A 447 -1.538 11.571 3.321 1.00 0.00 C ATOM 467 CE LYS A 447 -1.184 12.229 4.645 1.00 0.00 C ATOM 468 NZ LYS A 447 -0.009 13.136 4.517 1.00 0.00 N ATOM 0 H LYS A 447 -3.651 9.604 4.271 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.151 8.361 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.512 9.472 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.360 8.446 4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.350 10.549 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.689 10.107 2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.400 12.286 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -2.591 11.290 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -2.041 12.795 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.970 11.460 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.201 13.565 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.816 12.592 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.222 13.885 3.828 1.00 0.00 H new ATOM 482 N ILE A 448 -1.754 6.051 3.011 1.00 0.00 N ATOM 483 CA ILE A 448 -1.753 4.650 3.415 1.00 0.00 C ATOM 484 C ILE A 448 -0.334 4.093 3.462 1.00 0.00 C ATOM 485 O ILE A 448 0.279 3.836 2.425 1.00 0.00 O ATOM 486 CB ILE A 448 -2.600 3.788 2.461 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.933 4.477 2.164 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.832 2.408 3.059 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.807 4.654 3.386 1.00 0.00 C ATOM 0 H ILE A 448 -1.206 6.249 2.174 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.190 4.609 4.413 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.057 3.669 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.737 5.454 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.476 3.894 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.432 1.810 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.873 1.917 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.357 2.507 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.735 5.149 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.033 3.678 3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.283 5.262 4.123 1.00 0.00 H new ATOM 501 N THR A 449 0.183 3.905 4.672 1.00 0.00 N ATOM 502 CA THR A 449 1.529 3.377 4.855 1.00 0.00 C ATOM 503 C THR A 449 1.550 1.861 4.706 1.00 0.00 C ATOM 504 O THR A 449 0.915 1.143 5.479 1.00 0.00 O ATOM 505 CB THR A 449 2.098 3.754 6.236 1.00 0.00 C ATOM 506 OG1 THR A 449 1.915 5.154 6.476 1.00 0.00 O ATOM 507 CG2 THR A 449 3.576 3.408 6.325 1.00 0.00 C ATOM 0 H THR A 449 -0.311 4.111 5.541 1.00 0.00 H new ATOM 0 HA THR A 449 2.151 3.824 4.080 1.00 0.00 H new ATOM 0 HB THR A 449 1.561 3.183 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.278 5.385 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.956 3.683 7.309 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.709 2.337 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.125 3.955 5.558 1.00 0.00 H new ATOM 515 N ILE A 450 2.283 1.379 3.708 1.00 0.00 N ATOM 516 CA ILE A 450 2.387 -0.054 3.460 1.00 0.00 C ATOM 517 C ILE A 450 3.810 -0.443 3.074 1.00 0.00 C ATOM 518 O ILE A 450 4.679 0.415 2.920 1.00 0.00 O ATOM 519 CB ILE A 450 1.424 -0.503 2.345 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.874 0.056 0.995 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.003 -0.059 2.662 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.305 -0.692 -0.190 1.00 0.00 C ATOM 0 H ILE A 450 2.813 1.959 3.058 1.00 0.00 H new ATOM 0 HA ILE A 450 2.115 -0.556 4.388 1.00 0.00 H new ATOM 0 HB ILE A 450 1.440 -1.591 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.579 1.103 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.962 0.027 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.666 -0.384 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.315 -0.503 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.029 1.028 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.667 -0.240 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.621 -1.734 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.216 -0.641 -0.164 1.00 0.00 H new ATOM 534 N MET A 451 4.040 -1.742 2.916 1.00 0.00 N ATOM 535 CA MET A 451 5.358 -2.245 2.544 1.00 0.00 C ATOM 536 C MET A 451 5.265 -3.170 1.334 1.00 0.00 C ATOM 537 O MET A 451 4.788 -4.301 1.423 1.00 0.00 O ATOM 538 CB MET A 451 5.995 -2.987 3.721 1.00 0.00 C ATOM 539 CG MET A 451 7.514 -2.986 3.689 1.00 0.00 C ATOM 540 SD MET A 451 8.183 -4.061 2.405 1.00 0.00 S ATOM 541 CE MET A 451 9.722 -3.224 2.031 1.00 0.00 C ATOM 0 H MET A 451 3.332 -2.465 3.040 1.00 0.00 H new ATOM 0 HA MET A 451 5.984 -1.393 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.659 -2.531 4.652 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.640 -4.018 3.725 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.869 -1.968 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.894 -3.306 4.659 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.509 -3.962 1.877 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.601 -2.628 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.993 -2.572 2.862 1.00 0.00 H new ATOM 551 N PRO A 452 5.732 -2.679 0.177 1.00 0.00 N ATOM 552 CA PRO A 452 5.713 -3.446 -1.073 1.00 0.00 C ATOM 553 C PRO A 452 6.699 -4.609 -1.054 1.00 0.00 C ATOM 554 O PRO A 452 7.883 -4.428 -0.770 1.00 0.00 O ATOM 555 CB PRO A 452 6.122 -2.415 -2.128 1.00 0.00 C ATOM 556 CG PRO A 452 6.916 -1.401 -1.379 1.00 0.00 C ATOM 557 CD PRO A 452 6.315 -1.339 -0.002 1.00 0.00 C ATOM 0 HA PRO A 452 4.740 -3.901 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.713 -2.873 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.249 -1.964 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 452 7.967 -1.685 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.869 -0.429 -1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.068 -1.124 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.558 -0.558 0.071 1.00 0.00 H new ATOM 565 N LYS A 453 6.204 -5.803 -1.360 1.00 0.00 N ATOM 566 CA LYS A 453 7.041 -6.997 -1.381 1.00 0.00 C ATOM 567 C LYS A 453 7.982 -6.981 -2.581 1.00 0.00 C ATOM 568 O LYS A 453 7.557 -7.185 -3.719 1.00 0.00 O ATOM 569 CB LYS A 453 6.171 -8.255 -1.419 1.00 0.00 C ATOM 570 CG LYS A 453 5.299 -8.429 -0.187 1.00 0.00 C ATOM 571 CD LYS A 453 4.057 -9.250 -0.494 1.00 0.00 C ATOM 572 CE LYS A 453 4.379 -10.733 -0.588 1.00 0.00 C ATOM 573 NZ LYS A 453 3.355 -11.474 -1.374 1.00 0.00 N ATOM 0 H LYS A 453 5.226 -5.970 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 453 7.641 -7.005 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.534 -8.219 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.814 -9.128 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.873 -8.917 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.005 -7.451 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 453 3.311 -9.087 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 453 3.619 -8.911 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.357 -10.864 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.442 -11.155 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 3.611 -12.481 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 2.426 -11.371 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 3.312 -11.088 -2.339 1.00 0.00 H new ATOM 587 N HIS A 454 9.263 -6.738 -2.320 1.00 0.00 N ATOM 588 CA HIS A 454 10.264 -6.697 -3.380 1.00 0.00 C ATOM 589 C HIS A 454 11.672 -6.797 -2.800 1.00 0.00 C ATOM 590 O HIS A 454 11.921 -6.370 -1.674 1.00 0.00 O ATOM 591 CB HIS A 454 10.125 -5.410 -4.193 1.00 0.00 C ATOM 592 CG HIS A 454 10.574 -5.548 -5.615 1.00 0.00 C ATOM 593 ND1 HIS A 454 11.884 -5.376 -6.011 1.00 0.00 N ATOM 594 CD2 HIS A 454 9.879 -5.846 -6.738 1.00 0.00 C ATOM 595 CE1 HIS A 454 11.975 -5.560 -7.316 1.00 0.00 C ATOM 596 NE2 HIS A 454 10.772 -5.847 -7.781 1.00 0.00 N ATOM 0 H HIS A 454 9.632 -6.567 -1.385 1.00 0.00 H new ATOM 0 HA HIS A 454 10.098 -7.551 -4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.082 -5.092 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.705 -4.622 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 454 8.820 -6.046 -6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 454 12.879 -5.488 -7.903 1.00 0.00 H new ATOM 0 HE2 HIS A 454 10.544 -6.038 -8.757 1.00 0.00 H new ATOM 604 N GLU A 455 12.588 -7.365 -3.579 1.00 0.00 N ATOM 605 CA GLU A 455 13.970 -7.522 -3.141 1.00 0.00 C ATOM 606 C GLU A 455 14.669 -6.169 -3.047 1.00 0.00 C ATOM 607 O GLU A 455 15.181 -5.795 -1.991 1.00 0.00 O ATOM 608 CB GLU A 455 14.733 -8.436 -4.103 1.00 0.00 C ATOM 609 CG GLU A 455 14.202 -9.859 -4.140 1.00 0.00 C ATOM 610 CD GLU A 455 13.100 -10.044 -5.166 1.00 0.00 C ATOM 611 OE1 GLU A 455 13.420 -10.148 -6.368 1.00 0.00 O ATOM 612 OE2 GLU A 455 11.918 -10.086 -4.765 1.00 0.00 O ATOM 0 H GLU A 455 12.398 -7.723 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 455 13.960 -7.976 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.686 -8.013 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.784 -8.457 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 455 15.021 -10.543 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 455 13.824 -10.128 -3.154 1.00 0.00 H new ATOM 619 N ASP A 456 14.685 -5.440 -4.157 1.00 0.00 N ATOM 620 CA ASP A 456 15.320 -4.128 -4.201 1.00 0.00 C ATOM 621 C ASP A 456 14.798 -3.234 -3.080 1.00 0.00 C ATOM 622 O ASP A 456 15.543 -2.855 -2.176 1.00 0.00 O ATOM 623 CB ASP A 456 15.073 -3.463 -5.556 1.00 0.00 C ATOM 624 CG ASP A 456 16.177 -2.496 -5.936 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.298 -2.637 -5.404 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.920 -1.597 -6.765 1.00 0.00 O ATOM 0 H ASP A 456 14.265 -5.735 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 456 16.392 -4.266 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.987 -4.231 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.122 -2.931 -5.529 1.00 0.00 H new ATOM 631 N LEU A 457 13.514 -2.899 -3.147 1.00 0.00 N ATOM 632 CA LEU A 457 12.892 -2.049 -2.138 1.00 0.00 C ATOM 633 C LEU A 457 13.043 -2.655 -0.746 1.00 0.00 C ATOM 634 O LEU A 457 12.575 -3.763 -0.485 1.00 0.00 O ATOM 635 CB LEU A 457 11.410 -1.844 -2.459 1.00 0.00 C ATOM 636 CG LEU A 457 11.098 -0.852 -3.580 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.793 -1.219 -4.269 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.034 0.567 -3.034 1.00 0.00 C ATOM 0 H LEU A 457 12.884 -3.203 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 457 13.398 -1.083 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 457 10.979 -2.809 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 457 10.905 -1.508 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 457 11.900 -0.901 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.587 -0.502 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.875 -2.219 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 457 8.980 -1.199 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 457 10.811 1.259 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.252 0.631 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 457 11.993 0.829 -2.587 1.00 0.00 H new ATOM 650 N LYS A 458 13.698 -1.919 0.146 1.00 0.00 N ATOM 651 CA LYS A 458 13.909 -2.381 1.512 1.00 0.00 C ATOM 652 C LYS A 458 13.045 -1.593 2.492 1.00 0.00 C ATOM 653 O LYS A 458 12.465 -2.161 3.418 1.00 0.00 O ATOM 654 CB LYS A 458 15.384 -2.247 1.896 1.00 0.00 C ATOM 655 CG LYS A 458 15.877 -0.811 1.929 1.00 0.00 C ATOM 656 CD LYS A 458 17.384 -0.733 1.752 1.00 0.00 C ATOM 657 CE LYS A 458 18.116 -1.151 3.017 1.00 0.00 C ATOM 658 NZ LYS A 458 18.128 -0.064 4.035 1.00 0.00 N ATOM 0 H LYS A 458 14.092 -0.999 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 458 13.621 -3.431 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.538 -2.697 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.988 -2.813 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.387 -0.239 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 458 15.597 -0.351 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.688 -1.375 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.668 0.285 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.639 -2.037 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 458 19.141 -1.428 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 18.636 -0.388 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 18.605 0.773 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 17.151 0.183 4.291 1.00 0.00 H new ATOM 672 N ASP A 459 12.962 -0.284 2.281 1.00 0.00 N ATOM 673 CA ASP A 459 12.167 0.581 3.144 1.00 0.00 C ATOM 674 C ASP A 459 10.703 0.581 2.713 1.00 0.00 C ATOM 675 O ASP A 459 10.374 0.173 1.599 1.00 0.00 O ATOM 676 CB ASP A 459 12.718 2.007 3.121 1.00 0.00 C ATOM 677 CG ASP A 459 12.858 2.551 1.712 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.152 2.051 0.811 1.00 0.00 O ATOM 679 OD2 ASP A 459 13.674 3.475 1.511 1.00 0.00 O ATOM 0 H ASP A 459 13.436 0.201 1.519 1.00 0.00 H new ATOM 0 HA ASP A 459 12.228 0.193 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.058 2.658 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.691 2.026 3.613 1.00 0.00 H new ATOM 684 N MET A 460 9.829 1.039 3.603 1.00 0.00 N ATOM 685 CA MET A 460 8.401 1.092 3.314 1.00 0.00 C ATOM 686 C MET A 460 8.064 2.308 2.457 1.00 0.00 C ATOM 687 O MET A 460 8.937 3.118 2.141 1.00 0.00 O ATOM 688 CB MET A 460 7.597 1.132 4.615 1.00 0.00 C ATOM 689 CG MET A 460 7.720 2.448 5.366 1.00 0.00 C ATOM 690 SD MET A 460 9.113 2.466 6.511 1.00 0.00 S ATOM 691 CE MET A 460 8.282 2.118 8.060 1.00 0.00 C ATOM 0 H MET A 460 10.085 1.379 4.530 1.00 0.00 H new ATOM 0 HA MET A 460 8.135 0.193 2.758 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.547 0.949 4.389 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.930 0.321 5.263 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.833 3.262 4.650 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.799 2.635 5.918 1.00 0.00 H new ATOM 0 HE1 MET A 460 9.013 2.096 8.868 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.544 2.895 8.259 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.783 1.151 7.996 1.00 0.00 H new ATOM 701 N LEU A 461 6.795 2.430 2.084 1.00 0.00 N ATOM 702 CA LEU A 461 6.343 3.548 1.263 1.00 0.00 C ATOM 703 C LEU A 461 4.977 4.046 1.725 1.00 0.00 C ATOM 704 O LEU A 461 4.338 3.430 2.577 1.00 0.00 O ATOM 705 CB LEU A 461 6.277 3.132 -0.208 1.00 0.00 C ATOM 706 CG LEU A 461 7.619 2.898 -0.901 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.264 1.616 -0.397 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.439 2.849 -2.411 1.00 0.00 C ATOM 0 H LEU A 461 6.061 1.769 2.337 1.00 0.00 H new ATOM 0 HA LEU A 461 7.061 4.361 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.690 2.217 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.736 3.902 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 461 8.280 3.731 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.218 1.466 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.430 1.690 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.607 0.772 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.405 2.682 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 461 6.761 2.036 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.022 3.794 -2.759 1.00 0.00 H new ATOM 720 N GLU A 462 4.536 5.162 1.154 1.00 0.00 N ATOM 721 CA GLU A 462 3.245 5.741 1.507 1.00 0.00 C ATOM 722 C GLU A 462 2.472 6.150 0.256 1.00 0.00 C ATOM 723 O GLU A 462 2.880 7.058 -0.470 1.00 0.00 O ATOM 724 CB GLU A 462 3.438 6.953 2.420 1.00 0.00 C ATOM 725 CG GLU A 462 4.032 6.606 3.775 1.00 0.00 C ATOM 726 CD GLU A 462 4.610 7.815 4.485 1.00 0.00 C ATOM 727 OE1 GLU A 462 5.277 8.633 3.818 1.00 0.00 O ATOM 728 OE2 GLU A 462 4.395 7.942 5.709 1.00 0.00 O ATOM 0 H GLU A 462 5.053 5.683 0.446 1.00 0.00 H new ATOM 0 HA GLU A 462 2.668 4.984 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 462 4.087 7.673 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.475 7.442 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.262 6.156 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.814 5.858 3.644 1.00 0.00 H new ATOM 735 N PHE A 463 1.355 5.474 0.011 1.00 0.00 N ATOM 736 CA PHE A 463 0.525 5.766 -1.152 1.00 0.00 C ATOM 737 C PHE A 463 -0.888 6.156 -0.728 1.00 0.00 C ATOM 738 O PHE A 463 -1.374 5.769 0.335 1.00 0.00 O ATOM 739 CB PHE A 463 0.473 4.554 -2.084 1.00 0.00 C ATOM 740 CG PHE A 463 1.754 3.771 -2.123 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.802 4.173 -2.936 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.911 2.634 -1.346 1.00 0.00 C ATOM 743 CE1 PHE A 463 3.983 3.455 -2.973 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.090 1.913 -1.379 1.00 0.00 C ATOM 745 CZ PHE A 463 4.126 2.323 -2.195 1.00 0.00 C ATOM 0 H PHE A 463 1.004 4.720 0.602 1.00 0.00 H new ATOM 0 HA PHE A 463 0.971 6.607 -1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.336 3.896 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.232 4.891 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.695 5.057 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.103 2.308 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.793 3.779 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.201 1.030 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.047 1.759 -2.225 1.00 0.00 H new ATOM 755 N PRO A 464 -1.564 6.943 -1.578 1.00 0.00 N ATOM 756 CA PRO A 464 -2.930 7.404 -1.314 1.00 0.00 C ATOM 757 C PRO A 464 -3.950 6.273 -1.396 1.00 0.00 C ATOM 758 O PRO A 464 -3.622 5.158 -1.800 1.00 0.00 O ATOM 759 CB PRO A 464 -3.179 8.430 -2.423 1.00 0.00 C ATOM 760 CG PRO A 464 -2.265 8.024 -3.527 1.00 0.00 C ATOM 761 CD PRO A 464 -1.047 7.443 -2.863 1.00 0.00 C ATOM 0 HA PRO A 464 -3.036 7.809 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.220 8.419 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.962 9.442 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.741 7.291 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -2.000 8.879 -4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.608 6.642 -3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.271 8.195 -2.719 1.00 0.00 H new ATOM 769 N ALA A 465 -5.187 6.568 -1.010 1.00 0.00 N ATOM 770 CA ALA A 465 -6.255 5.577 -1.043 1.00 0.00 C ATOM 771 C ALA A 465 -6.859 5.467 -2.438 1.00 0.00 C ATOM 772 O ALA A 465 -7.979 4.984 -2.602 1.00 0.00 O ATOM 773 CB ALA A 465 -7.331 5.926 -0.025 1.00 0.00 C ATOM 0 H ALA A 465 -5.474 7.486 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.826 4.609 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.122 5.177 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.895 5.945 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.748 6.906 -0.258 1.00 0.00 H new ATOM 779 N GLN A 466 -6.111 5.918 -3.440 1.00 0.00 N ATOM 780 CA GLN A 466 -6.575 5.870 -4.821 1.00 0.00 C ATOM 781 C GLN A 466 -5.612 5.070 -5.692 1.00 0.00 C ATOM 782 O GLN A 466 -6.033 4.345 -6.593 1.00 0.00 O ATOM 783 CB GLN A 466 -6.728 7.287 -5.379 1.00 0.00 C ATOM 784 CG GLN A 466 -5.413 8.042 -5.491 1.00 0.00 C ATOM 785 CD GLN A 466 -5.604 9.545 -5.521 1.00 0.00 C ATOM 786 OE1 GLN A 466 -6.583 10.047 -6.073 1.00 0.00 O ATOM 787 NE2 GLN A 466 -4.668 10.273 -4.924 1.00 0.00 N ATOM 0 H GLN A 466 -5.181 6.321 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.546 5.374 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.191 7.233 -6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.407 7.850 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -4.774 7.778 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.894 7.727 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -3.873 9.815 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -4.744 11.290 -4.911 1.00 0.00 H new ATOM 796 N GLU A 467 -4.319 5.206 -5.416 1.00 0.00 N ATOM 797 CA GLU A 467 -3.297 4.496 -6.176 1.00 0.00 C ATOM 798 C GLU A 467 -3.297 3.010 -5.830 1.00 0.00 C ATOM 799 O GLU A 467 -2.998 2.164 -6.674 1.00 0.00 O ATOM 800 CB GLU A 467 -1.917 5.095 -5.901 1.00 0.00 C ATOM 801 CG GLU A 467 -1.540 6.219 -6.852 1.00 0.00 C ATOM 802 CD GLU A 467 -2.706 7.139 -7.159 1.00 0.00 C ATOM 803 OE1 GLU A 467 -3.583 6.742 -7.954 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.741 8.256 -6.602 1.00 0.00 O ATOM 0 H GLU A 467 -3.954 5.801 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.527 4.605 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.891 5.472 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.168 4.306 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.728 6.801 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.164 5.792 -7.782 1.00 0.00 H new ATOM 811 N LEU A 468 -3.633 2.699 -4.583 1.00 0.00 N ATOM 812 CA LEU A 468 -3.671 1.315 -4.123 1.00 0.00 C ATOM 813 C LEU A 468 -5.054 0.708 -4.338 1.00 0.00 C ATOM 814 O LEU A 468 -6.070 1.324 -4.015 1.00 0.00 O ATOM 815 CB LEU A 468 -3.292 1.238 -2.643 1.00 0.00 C ATOM 816 CG LEU A 468 -1.868 1.672 -2.292 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.681 1.717 -0.783 1.00 0.00 C ATOM 818 CD2 LEU A 468 -0.852 0.737 -2.930 1.00 0.00 C ATOM 0 H LEU A 468 -3.883 3.386 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.949 0.744 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.989 1.856 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.431 0.211 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.706 2.675 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.662 2.028 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.384 2.428 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.862 0.727 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.155 1.062 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.012 -0.278 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -0.970 0.756 -4.013 1.00 0.00 H new ATOM 830 N ARG A 469 -5.085 -0.504 -4.883 1.00 0.00 N ATOM 831 CA ARG A 469 -6.343 -1.195 -5.139 1.00 0.00 C ATOM 832 C ARG A 469 -6.407 -2.510 -4.369 1.00 0.00 C ATOM 833 O ARG A 469 -5.404 -3.210 -4.228 1.00 0.00 O ATOM 834 CB ARG A 469 -6.507 -1.459 -6.637 1.00 0.00 C ATOM 835 CG ARG A 469 -7.125 -0.297 -7.397 1.00 0.00 C ATOM 836 CD ARG A 469 -8.643 -0.322 -7.317 1.00 0.00 C ATOM 837 NE ARG A 469 -9.139 0.336 -6.111 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.338 0.105 -5.588 1.00 0.00 C ATOM 839 NH1 ARG A 469 -11.159 -0.764 -6.161 1.00 0.00 N ATOM 840 NH2 ARG A 469 -10.717 0.744 -4.488 1.00 0.00 N ATOM 0 H ARG A 469 -4.253 -1.028 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.157 -0.555 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -5.531 -1.685 -7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.128 -2.344 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.754 0.644 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.814 -0.337 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.060 0.170 -8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.990 -1.355 -7.335 1.00 0.00 H new ATOM 0 HE ARG A 469 -8.531 1.010 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.871 -1.257 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -12.079 -0.939 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.087 1.413 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -11.638 0.566 -4.087 1.00 0.00 H new ATOM 854 N LYS A 470 -7.594 -2.841 -3.872 1.00 0.00 N ATOM 855 CA LYS A 470 -7.792 -4.072 -3.116 1.00 0.00 C ATOM 856 C LYS A 470 -8.020 -5.254 -4.052 1.00 0.00 C ATOM 857 O LYS A 470 -8.831 -6.136 -3.768 1.00 0.00 O ATOM 858 CB LYS A 470 -8.980 -3.925 -2.163 1.00 0.00 C ATOM 859 CG LYS A 470 -9.090 -5.050 -1.149 1.00 0.00 C ATOM 860 CD LYS A 470 -8.327 -4.729 0.125 1.00 0.00 C ATOM 861 CE LYS A 470 -9.124 -3.805 1.034 1.00 0.00 C ATOM 862 NZ LYS A 470 -10.235 -4.523 1.717 1.00 0.00 N ATOM 0 H LYS A 470 -8.434 -2.273 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 470 -6.890 -4.261 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -8.894 -2.977 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -9.900 -3.882 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -10.139 -5.226 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.703 -5.972 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -8.097 -5.653 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -7.376 -4.261 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -8.460 -3.369 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -9.530 -2.981 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -10.624 -3.923 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -10.983 -4.741 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -9.875 -5.408 2.129 1.00 0.00 H new ATOM 876 N TYR A 471 -7.300 -5.267 -5.168 1.00 0.00 N ATOM 877 CA TYR A 471 -7.426 -6.340 -6.147 1.00 0.00 C ATOM 878 C TYR A 471 -7.597 -7.690 -5.456 1.00 0.00 C ATOM 879 O TYR A 471 -6.714 -8.143 -4.730 1.00 0.00 O ATOM 880 CB TYR A 471 -6.198 -6.374 -7.059 1.00 0.00 C ATOM 881 CG TYR A 471 -4.996 -7.045 -6.432 1.00 0.00 C ATOM 882 CD1 TYR A 471 -4.176 -6.358 -5.546 1.00 0.00 C ATOM 883 CD2 TYR A 471 -4.682 -8.366 -6.725 1.00 0.00 C ATOM 884 CE1 TYR A 471 -3.077 -6.967 -4.971 1.00 0.00 C ATOM 885 CE2 TYR A 471 -3.586 -8.984 -6.154 1.00 0.00 C ATOM 886 CZ TYR A 471 -2.786 -8.279 -5.278 1.00 0.00 C ATOM 887 OH TYR A 471 -1.693 -8.890 -4.707 1.00 0.00 O ATOM 0 H TYR A 471 -6.623 -4.546 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 471 -8.313 -6.145 -6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -6.455 -6.896 -7.981 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -5.932 -5.353 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -4.401 -5.330 -5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -5.306 -8.920 -7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -2.449 -6.418 -4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -3.357 -10.012 -6.392 1.00 0.00 H new ATOM 0 HH TYR A 471 -0.897 -8.712 -5.251 1.00 0.00 H new TER 897 TYR A 471