USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 832 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 588 TYR OH : rot 180:sc= -0.234 USER MOD Set 1.2: A 622 GLN : amide:sc= -2.78 K(o=-3,f=-8.9!) USER MOD Set 2.1: A 556 CYS SG : rot 150:sc= -0.0107 USER MOD Set 2.2: A 559 CYS SG : rot -2:sc= -17.8! USER MOD Set 2.3: A 612 CYS SG : rot -131:sc= -0.941 USER MOD Set 2.4: A 615 CYS SG : rot 32:sc= -23.6! USER MOD Set 3.1: A 581 ASN : amide:sc= -5.81! C(o=-8.1!,f=-3.4!) USER MOD Set 3.2: A 583 ASN : amide:sc= -2.31 K(o=-8.1,f=-6.3!) USER MOD Set 4.1: A 571 LYS NZ :NH3+ 174:sc= -0.282 (180deg=0) USER MOD Set 4.2: A 577 HIS : no HD1:sc= -20.3! C(o=-21!,f=-23!) USER MOD Set 5.1: A 553 GLN : amide:sc= -1.26 K(o=-1.9,f=-4.1!) USER MOD Set 5.2: A 565 HIS : no HD1:sc= -0.638 K(o=-1.9,f=-2.5) USER MOD Single : A 546 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.14) USER MOD Single : A 551 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.51) USER MOD Single : A 558 ASN : amide:sc= -0.012 K(o=-0.012,f=-1) USER MOD Single : A 560 MET CE :methyl 150:sc= -0.272 (180deg=-1.51) USER MOD Single : A 567 SER OG : rot 80:sc= -3.96! USER MOD Single : A 575 THR OG1 : rot -163:sc= -0.859 USER MOD Single : A 576 HIS : no HD1:sc= -2.02 X(o=-2,f=-2.3!) USER MOD Single : A 579 ASN : amide:sc= -0.917 K(o=-0.92,f=-2!) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.951 K(o=-0.95,f=0) USER MOD Single : A 587 TYR OH : rot -86:sc= 0.859 USER MOD Single : A 589 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.58) USER MOD Single : A 591 SER OG : rot 150:sc= -0.728 USER MOD Single : A 605 LYS NZ :NH3+ -168:sc= -11.3! (180deg=-11.5!) USER MOD Single : A 611 SER OG : rot 46:sc= 0.0365 USER MOD Single : A 614 ASN : amide:sc= -5.05! C(o=-5!,f=-4!) USER MOD Single : A 623 MET CE :methyl -171:sc= -1.13 (180deg=-1.21) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -69:sc= 0.618 USER MOD Single : A 629 LYS NZ :NH3+ -151:sc= -0.269 (180deg=-1.22!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 160:sc= -0.558 USER MOD Single : A 638 MET CE :methyl -153:sc= -9.9! (180deg=-11!) USER MOD Single : A 642 THR OG1 : rot -111:sc= 0.338 USER MOD Single : A 644 GLN : amide:sc= -2.4! K(o=-2.4!,f=-1.5) USER MOD Single : A 648 GLN : amide:sc= -4.71 K(o=-4.7,f=-6.4!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 4.986 -6.378 1.996 1.00 55.40 N ATOM 57 CA GLN A 546 5.759 -6.934 3.093 1.00 44.02 C ATOM 58 C GLN A 546 4.843 -7.275 4.270 1.00 41.04 C ATOM 59 O GLN A 546 3.957 -6.496 4.617 1.00 0.31 O ATOM 60 CB GLN A 546 6.870 -5.973 3.523 1.00 72.41 C ATOM 61 CG GLN A 546 8.085 -6.091 2.600 1.00 33.34 C ATOM 62 CD GLN A 546 8.168 -4.897 1.648 1.00 52.30 C ATOM 63 OE1 GLN A 546 8.318 -5.038 0.445 1.00 12.14 O ATOM 64 NE2 GLN A 546 8.062 -3.716 2.251 1.00 42.13 N ATOM 0 HA GLN A 546 6.232 -7.854 2.749 1.00 44.02 H new ATOM 0 HB2 GLN A 546 6.496 -4.949 3.509 1.00 72.41 H new ATOM 0 HB3 GLN A 546 7.166 -6.190 4.549 1.00 72.41 H new ATOM 0 HG2 GLN A 546 8.995 -6.149 3.197 1.00 33.34 H new ATOM 0 HG3 GLN A 546 8.021 -7.015 2.025 1.00 33.34 H new ATOM 0 HE21 GLN A 546 7.938 -3.669 3.262 1.00 42.13 H new ATOM 0 HE22 GLN A 546 8.105 -2.857 1.702 1.00 42.13 H new ATOM 73 N PHE A 547 5.088 -8.440 4.851 1.00 71.24 N ATOM 74 CA PHE A 547 4.296 -8.894 5.981 1.00 12.12 C ATOM 75 C PHE A 547 5.113 -9.816 6.888 1.00 11.15 C ATOM 76 O PHE A 547 5.327 -10.983 6.563 1.00 0.50 O ATOM 77 CB PHE A 547 3.111 -9.677 5.412 1.00 64.22 C ATOM 78 CG PHE A 547 2.464 -9.025 4.189 1.00 50.44 C ATOM 79 CD1 PHE A 547 3.096 -9.060 2.985 1.00 74.33 C ATOM 80 CD2 PHE A 547 1.257 -8.409 4.305 1.00 1.34 C ATOM 81 CE1 PHE A 547 2.495 -8.455 1.850 1.00 52.44 C ATOM 82 CE2 PHE A 547 0.656 -7.803 3.170 1.00 3.13 C ATOM 83 CZ PHE A 547 1.288 -7.839 1.966 1.00 11.43 C ATOM 0 H PHE A 547 5.824 -9.083 4.560 1.00 71.24 H new ATOM 0 HA PHE A 547 3.971 -8.039 6.574 1.00 12.12 H new ATOM 0 HB2 PHE A 547 3.446 -10.678 5.142 1.00 64.22 H new ATOM 0 HB3 PHE A 547 2.357 -9.792 6.191 1.00 64.22 H new ATOM 0 HD1 PHE A 547 4.055 -9.548 2.892 1.00 74.33 H new ATOM 0 HD2 PHE A 547 0.755 -8.381 5.261 1.00 1.34 H new ATOM 0 HE1 PHE A 547 2.997 -8.484 0.894 1.00 52.44 H new ATOM 0 HE2 PHE A 547 -0.302 -7.314 3.263 1.00 3.13 H new ATOM 0 HZ PHE A 547 0.831 -7.379 1.102 1.00 11.43 H new ATOM 93 N PRO A 548 5.559 -9.243 8.039 1.00 53.15 N ATOM 94 CA PRO A 548 6.348 -10.000 8.995 1.00 35.32 C ATOM 95 C PRO A 548 5.468 -10.975 9.781 1.00 64.40 C ATOM 96 O PRO A 548 4.353 -10.634 10.172 1.00 23.33 O ATOM 97 CB PRO A 548 7.008 -8.953 9.877 1.00 62.31 C ATOM 98 CG PRO A 548 6.206 -7.677 9.681 1.00 20.00 C ATOM 99 CD PRO A 548 5.324 -7.864 8.457 1.00 5.10 C ATOM 0 HA PRO A 548 7.099 -10.629 8.517 1.00 35.32 H new ATOM 0 HB2 PRO A 548 7.001 -9.262 10.922 1.00 62.31 H new ATOM 0 HB3 PRO A 548 8.051 -8.806 9.595 1.00 62.31 H new ATOM 0 HG2 PRO A 548 5.598 -7.469 10.561 1.00 20.00 H new ATOM 0 HG3 PRO A 548 6.872 -6.825 9.545 1.00 20.00 H new ATOM 0 HD2 PRO A 548 4.274 -7.696 8.696 1.00 5.10 H new ATOM 0 HD3 PRO A 548 5.588 -7.160 7.667 1.00 5.10 H new ATOM 107 N VAL A 549 6.004 -12.169 9.988 1.00 32.45 N ATOM 108 CA VAL A 549 5.282 -13.196 10.721 1.00 60.23 C ATOM 109 C VAL A 549 4.740 -12.603 12.023 1.00 43.44 C ATOM 110 O VAL A 549 3.604 -12.875 12.408 1.00 42.55 O ATOM 111 CB VAL A 549 6.185 -14.410 10.947 1.00 24.14 C ATOM 112 CG1 VAL A 549 6.533 -15.090 9.622 1.00 73.24 C ATOM 113 CG2 VAL A 549 7.452 -14.016 11.710 1.00 31.10 C ATOM 0 H VAL A 549 6.929 -12.448 9.661 1.00 32.45 H new ATOM 0 HA VAL A 549 4.427 -13.547 10.144 1.00 60.23 H new ATOM 0 HB VAL A 549 5.635 -15.127 11.557 1.00 24.14 H new ATOM 0 HG11 VAL A 549 7.176 -15.950 9.812 1.00 73.24 H new ATOM 0 HG12 VAL A 549 5.618 -15.422 9.132 1.00 73.24 H new ATOM 0 HG13 VAL A 549 7.054 -14.383 8.976 1.00 73.24 H new ATOM 0 HG21 VAL A 549 8.077 -14.897 11.858 1.00 31.10 H new ATOM 0 HG22 VAL A 549 8.005 -13.271 11.137 1.00 31.10 H new ATOM 0 HG23 VAL A 549 7.178 -13.599 12.679 1.00 31.10 H new ATOM 123 N GLU A 550 5.579 -11.803 12.665 1.00 50.11 N ATOM 124 CA GLU A 550 5.199 -11.169 13.916 1.00 54.43 C ATOM 125 C GLU A 550 3.893 -10.390 13.740 1.00 3.14 C ATOM 126 O GLU A 550 3.081 -10.317 14.661 1.00 22.34 O ATOM 127 CB GLU A 550 6.315 -10.258 14.431 1.00 61.24 C ATOM 128 CG GLU A 550 6.798 -9.308 13.333 1.00 61.23 C ATOM 129 CD GLU A 550 7.298 -7.991 13.929 1.00 44.22 C ATOM 130 OE1 GLU A 550 6.489 -7.167 14.380 1.00 35.52 O ATOM 131 OE2 GLU A 550 8.579 -7.837 13.914 1.00 62.14 O ATOM 0 H GLU A 550 6.520 -11.579 12.342 1.00 50.11 H new ATOM 0 HA GLU A 550 5.038 -11.948 14.661 1.00 54.43 H new ATOM 0 HB2 GLU A 550 5.955 -9.681 15.283 1.00 61.24 H new ATOM 0 HB3 GLU A 550 7.149 -10.864 14.786 1.00 61.24 H new ATOM 0 HG2 GLU A 550 7.598 -9.781 12.764 1.00 61.23 H new ATOM 0 HG3 GLU A 550 5.985 -9.110 12.635 1.00 61.23 H new ATOM 139 N HIS A 551 3.732 -9.827 12.552 1.00 62.22 N ATOM 140 CA HIS A 551 2.539 -9.057 12.244 1.00 3.40 C ATOM 141 C HIS A 551 1.419 -10.000 11.801 1.00 1.12 C ATOM 142 O HIS A 551 0.245 -9.633 11.831 1.00 45.23 O ATOM 143 CB HIS A 551 2.845 -7.972 11.209 1.00 62.31 C ATOM 144 CG HIS A 551 3.281 -6.657 11.808 1.00 3.44 C ATOM 145 ND1 HIS A 551 3.509 -5.524 11.046 1.00 62.30 N ATOM 146 CD2 HIS A 551 3.528 -6.305 13.103 1.00 35.11 C ATOM 147 CE1 HIS A 551 3.877 -4.542 11.856 1.00 54.05 C ATOM 148 NE2 HIS A 551 3.888 -5.028 13.130 1.00 52.01 N ATOM 0 H HIS A 551 4.408 -9.889 11.791 1.00 62.22 H new ATOM 0 HA HIS A 551 2.196 -8.538 13.139 1.00 3.40 H new ATOM 0 HB2 HIS A 551 3.627 -8.332 10.541 1.00 62.31 H new ATOM 0 HB3 HIS A 551 1.957 -7.805 10.599 1.00 62.31 H new ATOM 0 HD2 HIS A 551 3.445 -6.956 13.961 1.00 35.11 H new ATOM 0 HE1 HIS A 551 4.125 -3.534 11.559 1.00 54.05 H new ATOM 0 HE2 HIS A 551 4.133 -4.497 13.966 1.00 52.01 H new ATOM 156 N VAL A 552 1.821 -11.197 11.401 1.00 30.31 N ATOM 157 CA VAL A 552 0.866 -12.196 10.953 1.00 73.23 C ATOM 158 C VAL A 552 0.479 -13.091 12.132 1.00 63.43 C ATOM 159 O VAL A 552 1.347 -13.607 12.835 1.00 11.30 O ATOM 160 CB VAL A 552 1.443 -12.979 9.772 1.00 72.14 C ATOM 161 CG1 VAL A 552 0.615 -14.234 9.489 1.00 72.13 C ATOM 162 CG2 VAL A 552 1.544 -12.097 8.526 1.00 40.51 C ATOM 0 H VAL A 552 2.795 -11.498 11.378 1.00 30.31 H new ATOM 0 HA VAL A 552 -0.046 -11.719 10.595 1.00 73.23 H new ATOM 0 HB VAL A 552 2.451 -13.296 10.041 1.00 72.14 H new ATOM 0 HG11 VAL A 552 1.047 -14.772 8.645 1.00 72.13 H new ATOM 0 HG12 VAL A 552 0.617 -14.877 10.369 1.00 72.13 H new ATOM 0 HG13 VAL A 552 -0.410 -13.948 9.251 1.00 72.13 H new ATOM 0 HG21 VAL A 552 1.957 -12.678 7.701 1.00 40.51 H new ATOM 0 HG22 VAL A 552 0.552 -11.736 8.254 1.00 40.51 H new ATOM 0 HG23 VAL A 552 2.195 -11.248 8.733 1.00 40.51 H new ATOM 172 N GLN A 553 -0.824 -13.249 12.311 1.00 21.24 N ATOM 173 CA GLN A 553 -1.336 -14.073 13.393 1.00 21.31 C ATOM 174 C GLN A 553 -2.159 -15.234 12.832 1.00 71.41 C ATOM 175 O GLN A 553 -2.900 -15.064 11.865 1.00 33.22 O ATOM 176 CB GLN A 553 -2.162 -13.239 14.374 1.00 31.10 C ATOM 177 CG GLN A 553 -2.532 -14.057 15.613 1.00 11.11 C ATOM 178 CD GLN A 553 -2.772 -13.147 16.819 1.00 11.42 C ATOM 179 OE1 GLN A 553 -2.030 -13.148 17.788 1.00 35.00 O ATOM 180 NE2 GLN A 553 -3.847 -12.371 16.706 1.00 21.35 N ATOM 0 H GLN A 553 -1.541 -12.821 11.725 1.00 21.24 H new ATOM 0 HA GLN A 553 -0.489 -14.485 13.942 1.00 21.31 H new ATOM 0 HB2 GLN A 553 -1.596 -12.356 14.672 1.00 31.10 H new ATOM 0 HB3 GLN A 553 -3.069 -12.886 13.883 1.00 31.10 H new ATOM 0 HG2 GLN A 553 -3.428 -14.644 15.412 1.00 11.11 H new ATOM 0 HG3 GLN A 553 -1.733 -14.763 15.839 1.00 11.11 H new ATOM 0 HE21 GLN A 553 -4.426 -12.420 15.867 1.00 21.35 H new ATOM 0 HE22 GLN A 553 -4.092 -11.727 17.458 1.00 21.35 H new ATOM 189 N LEU A 554 -2.001 -16.389 13.462 1.00 12.14 N ATOM 190 CA LEU A 554 -2.721 -17.578 13.038 1.00 3.10 C ATOM 191 C LEU A 554 -4.128 -17.559 13.638 1.00 1.35 C ATOM 192 O LEU A 554 -4.291 -17.681 14.852 1.00 63.05 O ATOM 193 CB LEU A 554 -1.923 -18.838 13.381 1.00 50.33 C ATOM 194 CG LEU A 554 -0.780 -19.188 12.426 1.00 71.32 C ATOM 195 CD1 LEU A 554 -0.644 -20.704 12.266 1.00 13.24 C ATOM 196 CD2 LEU A 554 -0.955 -18.484 11.079 1.00 12.30 C ATOM 0 H LEU A 554 -1.385 -16.527 14.263 1.00 12.14 H new ATOM 0 HA LEU A 554 -2.837 -17.587 11.954 1.00 3.10 H new ATOM 0 HB2 LEU A 554 -1.510 -18.721 14.383 1.00 50.33 H new ATOM 0 HB3 LEU A 554 -2.612 -19.682 13.417 1.00 50.33 H new ATOM 0 HG LEU A 554 0.151 -18.824 12.861 1.00 71.32 H new ATOM 0 HD11 LEU A 554 0.175 -20.926 11.582 1.00 13.24 H new ATOM 0 HD12 LEU A 554 -0.439 -21.155 13.237 1.00 13.24 H new ATOM 0 HD13 LEU A 554 -1.572 -21.112 11.865 1.00 13.24 H new ATOM 0 HD21 LEU A 554 -0.129 -18.750 10.419 1.00 12.30 H new ATOM 0 HD22 LEU A 554 -1.896 -18.795 10.626 1.00 12.30 H new ATOM 0 HD23 LEU A 554 -0.965 -17.405 11.231 1.00 12.30 H new ATOM 208 N LEU A 555 -5.109 -17.404 12.761 1.00 22.14 N ATOM 209 CA LEU A 555 -6.497 -17.367 13.190 1.00 62.32 C ATOM 210 C LEU A 555 -7.329 -18.282 12.288 1.00 4.04 C ATOM 211 O LEU A 555 -6.828 -18.916 11.360 1.00 3.22 O ATOM 212 CB LEU A 555 -7.004 -15.925 13.238 1.00 14.23 C ATOM 213 CG LEU A 555 -5.972 -14.863 13.621 1.00 4.21 C ATOM 214 CD1 LEU A 555 -5.333 -14.245 12.376 1.00 53.14 C ATOM 215 CD2 LEU A 555 -6.589 -13.802 14.535 1.00 24.21 C ATOM 0 H LEU A 555 -4.970 -17.303 11.756 1.00 22.14 H new ATOM 0 HA LEU A 555 -6.592 -17.748 14.207 1.00 62.32 H new ATOM 0 HB2 LEU A 555 -7.411 -15.671 12.259 1.00 14.23 H new ATOM 0 HB3 LEU A 555 -7.829 -15.874 13.949 1.00 14.23 H new ATOM 0 HG LEU A 555 -5.176 -15.349 14.184 1.00 4.21 H new ATOM 0 HD11 LEU A 555 -4.603 -13.493 12.677 1.00 53.14 H new ATOM 0 HD12 LEU A 555 -4.835 -15.024 11.798 1.00 53.14 H new ATOM 0 HD13 LEU A 555 -6.105 -13.777 11.765 1.00 53.14 H new ATOM 0 HD21 LEU A 555 -5.834 -13.059 14.792 1.00 24.21 H new ATOM 0 HD22 LEU A 555 -7.417 -13.315 14.020 1.00 24.21 H new ATOM 0 HD23 LEU A 555 -6.957 -14.275 15.445 1.00 24.21 H new ATOM 227 N CYS A 556 -8.623 -18.337 12.585 1.00 14.22 N ATOM 228 CA CYS A 556 -9.549 -19.163 11.821 1.00 72.53 C ATOM 229 C CYS A 556 -10.406 -18.307 10.893 1.00 1.30 C ATOM 230 O CYS A 556 -11.361 -17.687 11.358 1.00 53.12 O ATOM 231 CB CYS A 556 -10.447 -19.967 12.764 1.00 64.04 C ATOM 232 SG CYS A 556 -11.175 -21.456 12.007 1.00 55.41 S ATOM 0 H CYS A 556 -9.054 -17.818 13.350 1.00 14.22 H new ATOM 0 HA CYS A 556 -8.963 -19.852 11.213 1.00 72.53 H new ATOM 0 HB2 CYS A 556 -9.866 -20.263 13.637 1.00 64.04 H new ATOM 0 HB3 CYS A 556 -11.251 -19.323 13.120 1.00 64.04 H new ATOM 0 HG CYS A 556 -11.348 -22.366 12.919 1.00 55.41 H new ATOM 237 N ILE A 557 -10.050 -18.290 9.617 1.00 24.10 N ATOM 238 CA ILE A 557 -10.792 -17.508 8.643 1.00 71.31 C ATOM 239 C ILE A 557 -12.265 -17.457 9.053 1.00 74.25 C ATOM 240 O ILE A 557 -12.922 -16.429 8.894 1.00 72.41 O ATOM 241 CB ILE A 557 -10.565 -18.055 7.232 1.00 43.41 C ATOM 242 CG1 ILE A 557 -11.590 -19.138 6.891 1.00 14.34 C ATOM 243 CG2 ILE A 557 -9.128 -18.552 7.062 1.00 42.04 C ATOM 244 CD1 ILE A 557 -11.455 -19.583 5.434 1.00 45.42 C ATOM 0 H ILE A 557 -9.257 -18.806 9.235 1.00 24.10 H new ATOM 0 HA ILE A 557 -10.430 -16.480 8.624 1.00 71.31 H new ATOM 0 HB ILE A 557 -10.711 -17.240 6.523 1.00 43.41 H new ATOM 0 HG12 ILE A 557 -11.452 -19.995 7.551 1.00 14.34 H new ATOM 0 HG13 ILE A 557 -12.597 -18.759 7.067 1.00 14.34 H new ATOM 0 HG21 ILE A 557 -8.993 -18.936 6.051 1.00 42.04 H new ATOM 0 HG22 ILE A 557 -8.435 -17.728 7.233 1.00 42.04 H new ATOM 0 HG23 ILE A 557 -8.931 -19.347 7.781 1.00 42.04 H new ATOM 0 HD11 ILE A 557 -12.196 -20.353 5.219 1.00 45.42 H new ATOM 0 HD12 ILE A 557 -11.618 -18.729 4.776 1.00 45.42 H new ATOM 0 HD13 ILE A 557 -10.455 -19.984 5.267 1.00 45.42 H new ATOM 256 N ASN A 558 -12.741 -18.579 9.572 1.00 75.45 N ATOM 257 CA ASN A 558 -14.125 -18.676 10.005 1.00 0.51 C ATOM 258 C ASN A 558 -14.295 -17.921 11.325 1.00 2.31 C ATOM 259 O ASN A 558 -15.049 -16.952 11.398 1.00 41.34 O ATOM 260 CB ASN A 558 -14.529 -20.133 10.238 1.00 11.44 C ATOM 261 CG ASN A 558 -15.048 -20.771 8.948 1.00 11.24 C ATOM 262 OD1 ASN A 558 -14.433 -20.697 7.897 1.00 11.33 O ATOM 263 ND2 ASN A 558 -16.212 -21.400 9.086 1.00 25.34 N ATOM 0 H ASN A 558 -12.193 -19.429 9.703 1.00 75.45 H new ATOM 0 HA ASN A 558 -14.754 -18.249 9.224 1.00 0.51 H new ATOM 0 HB2 ASN A 558 -13.673 -20.697 10.608 1.00 11.44 H new ATOM 0 HB3 ASN A 558 -15.299 -20.182 11.008 1.00 11.44 H new ATOM 0 HD21 ASN A 558 -16.642 -21.858 8.283 1.00 25.34 H new ATOM 0 HD22 ASN A 558 -16.674 -21.424 9.995 1.00 25.34 H new ATOM 270 N CYS A 559 -13.581 -18.394 12.336 1.00 11.53 N ATOM 271 CA CYS A 559 -13.643 -17.775 13.650 1.00 74.42 C ATOM 272 C CYS A 559 -12.872 -16.455 13.597 1.00 64.44 C ATOM 273 O CYS A 559 -13.468 -15.381 13.646 1.00 13.02 O ATOM 274 CB CYS A 559 -13.107 -18.707 14.739 1.00 13.51 C ATOM 275 SG CYS A 559 -13.500 -20.477 14.497 1.00 73.33 S ATOM 0 H CYS A 559 -12.957 -19.198 12.272 1.00 11.53 H new ATOM 0 HA CYS A 559 -14.682 -17.576 13.913 1.00 74.42 H new ATOM 0 HB2 CYS A 559 -12.024 -18.594 14.793 1.00 13.51 H new ATOM 0 HB3 CYS A 559 -13.509 -18.388 15.701 1.00 13.51 H new ATOM 0 HG CYS A 559 -14.221 -20.619 13.425 1.00 73.33 H new ATOM 280 N MET A 560 -11.556 -16.579 13.496 1.00 33.55 N ATOM 281 CA MET A 560 -10.697 -15.410 13.436 1.00 43.50 C ATOM 282 C MET A 560 -10.515 -14.791 14.823 1.00 4.44 C ATOM 283 O MET A 560 -10.538 -13.570 14.970 1.00 4.42 O ATOM 284 CB MET A 560 -11.310 -14.374 12.491 1.00 4.23 C ATOM 285 CG MET A 560 -11.743 -15.022 11.175 1.00 55.43 C ATOM 286 SD MET A 560 -12.542 -13.812 10.133 1.00 14.14 S ATOM 287 CE MET A 560 -14.251 -14.136 10.537 1.00 41.23 C ATOM 0 H MET A 560 -11.065 -17.472 13.454 1.00 33.55 H new ATOM 0 HA MET A 560 -9.720 -15.719 13.066 1.00 43.50 H new ATOM 0 HB2 MET A 560 -12.169 -13.904 12.969 1.00 4.23 H new ATOM 0 HB3 MET A 560 -10.585 -13.585 12.291 1.00 4.23 H new ATOM 0 HG2 MET A 560 -10.876 -15.439 10.663 1.00 55.43 H new ATOM 0 HG3 MET A 560 -12.424 -15.849 11.374 1.00 55.43 H new ATOM 0 HE1 MET A 560 -14.829 -13.217 10.437 1.00 41.23 H new ATOM 0 HE2 MET A 560 -14.649 -14.890 9.858 1.00 41.23 H new ATOM 0 HE3 MET A 560 -14.320 -14.498 11.563 1.00 41.23 H new ATOM 297 N VAL A 561 -10.338 -15.661 15.806 1.00 24.51 N ATOM 298 CA VAL A 561 -10.152 -15.216 17.177 1.00 44.24 C ATOM 299 C VAL A 561 -8.682 -15.385 17.568 1.00 34.34 C ATOM 300 O VAL A 561 -8.288 -15.034 18.679 1.00 0.51 O ATOM 301 CB VAL A 561 -11.109 -15.966 18.105 1.00 25.13 C ATOM 302 CG1 VAL A 561 -12.428 -16.278 17.397 1.00 53.21 C ATOM 303 CG2 VAL A 561 -10.461 -17.243 18.644 1.00 4.15 C ATOM 0 H VAL A 561 -10.319 -16.673 15.680 1.00 24.51 H new ATOM 0 HA VAL A 561 -10.393 -14.157 17.272 1.00 44.24 H new ATOM 0 HB VAL A 561 -11.330 -15.318 18.953 1.00 25.13 H new ATOM 0 HG11 VAL A 561 -13.090 -16.811 18.079 1.00 53.21 H new ATOM 0 HG12 VAL A 561 -12.902 -15.348 17.085 1.00 53.21 H new ATOM 0 HG13 VAL A 561 -12.233 -16.898 16.522 1.00 53.21 H new ATOM 0 HG21 VAL A 561 -11.162 -17.757 19.301 1.00 4.15 H new ATOM 0 HG22 VAL A 561 -10.197 -17.896 17.812 1.00 4.15 H new ATOM 0 HG23 VAL A 561 -9.561 -16.986 19.203 1.00 4.15 H new ATOM 313 N ALA A 562 -7.912 -15.924 16.635 1.00 75.34 N ATOM 314 CA ALA A 562 -6.495 -16.145 16.868 1.00 14.25 C ATOM 315 C ALA A 562 -6.304 -17.478 17.595 1.00 51.14 C ATOM 316 O ALA A 562 -6.535 -17.571 18.799 1.00 20.41 O ATOM 317 CB ALA A 562 -5.918 -14.965 17.653 1.00 22.32 C ATOM 0 H ALA A 562 -8.243 -16.215 15.715 1.00 75.34 H new ATOM 0 HA ALA A 562 -5.955 -16.205 15.923 1.00 14.25 H new ATOM 0 HB1 ALA A 562 -4.855 -15.130 17.828 1.00 22.32 H new ATOM 0 HB2 ALA A 562 -6.053 -14.047 17.082 1.00 22.32 H new ATOM 0 HB3 ALA A 562 -6.434 -14.877 18.609 1.00 22.32 H new ATOM 323 N VAL A 563 -5.884 -18.476 16.831 1.00 31.02 N ATOM 324 CA VAL A 563 -5.659 -19.800 17.387 1.00 51.32 C ATOM 325 C VAL A 563 -4.157 -20.022 17.572 1.00 3.31 C ATOM 326 O VAL A 563 -3.740 -21.030 18.139 1.00 21.43 O ATOM 327 CB VAL A 563 -6.315 -20.859 16.498 1.00 2.42 C ATOM 328 CG1 VAL A 563 -7.798 -21.017 16.837 1.00 13.24 C ATOM 329 CG2 VAL A 563 -6.123 -20.526 15.017 1.00 33.30 C ATOM 0 H VAL A 563 -5.694 -18.395 15.832 1.00 31.02 H new ATOM 0 HA VAL A 563 -6.124 -19.886 18.369 1.00 51.32 H new ATOM 0 HB VAL A 563 -5.824 -21.812 16.694 1.00 2.42 H new ATOM 0 HG11 VAL A 563 -8.240 -21.775 16.191 1.00 13.24 H new ATOM 0 HG12 VAL A 563 -7.903 -21.322 17.878 1.00 13.24 H new ATOM 0 HG13 VAL A 563 -8.310 -20.067 16.684 1.00 13.24 H new ATOM 0 HG21 VAL A 563 -6.598 -21.294 14.407 1.00 33.30 H new ATOM 0 HG22 VAL A 563 -6.576 -19.558 14.800 1.00 33.30 H new ATOM 0 HG23 VAL A 563 -5.058 -20.488 14.788 1.00 33.30 H new ATOM 339 N GLY A 564 -3.384 -19.063 17.083 1.00 55.41 N ATOM 340 CA GLY A 564 -1.937 -19.141 17.187 1.00 13.33 C ATOM 341 C GLY A 564 -1.277 -17.889 16.606 1.00 52.14 C ATOM 342 O GLY A 564 -1.930 -16.860 16.436 1.00 31.33 O ATOM 0 H GLY A 564 -3.733 -18.227 16.613 1.00 55.41 H new ATOM 0 HA2 GLY A 564 -1.650 -19.256 18.232 1.00 13.33 H new ATOM 0 HA3 GLY A 564 -1.578 -20.024 16.659 1.00 13.33 H new ATOM 346 N HIS A 565 0.009 -18.018 16.316 1.00 41.44 N ATOM 347 CA HIS A 565 0.765 -16.910 15.756 1.00 13.44 C ATOM 348 C HIS A 565 1.457 -17.359 14.468 1.00 51.20 C ATOM 349 O HIS A 565 1.828 -18.524 14.332 1.00 51.31 O ATOM 350 CB HIS A 565 1.742 -16.343 16.788 1.00 22.11 C ATOM 351 CG HIS A 565 1.117 -15.364 17.754 1.00 63.45 C ATOM 352 ND1 HIS A 565 1.403 -14.010 17.738 1.00 21.35 N ATOM 353 CD2 HIS A 565 0.219 -15.557 18.761 1.00 33.14 C ATOM 354 CE1 HIS A 565 0.703 -13.424 18.699 1.00 63.52 C ATOM 355 NE2 HIS A 565 -0.030 -14.385 19.332 1.00 43.20 N ATOM 0 H HIS A 565 0.547 -18.873 16.458 1.00 41.44 H new ATOM 0 HA HIS A 565 0.087 -16.096 15.498 1.00 13.44 H new ATOM 0 HB2 HIS A 565 2.177 -17.168 17.353 1.00 22.11 H new ATOM 0 HB3 HIS A 565 2.561 -15.849 16.265 1.00 22.11 H new ATOM 0 HD2 HIS A 565 -0.216 -16.503 19.046 1.00 33.14 H new ATOM 0 HE1 HIS A 565 0.711 -12.371 18.939 1.00 63.52 H new ATOM 0 HE2 HIS A 565 -0.665 -14.229 20.115 1.00 43.20 H new ATOM 363 N GLY A 566 1.610 -16.411 13.555 1.00 73.00 N ATOM 364 CA GLY A 566 2.251 -16.694 12.282 1.00 33.41 C ATOM 365 C GLY A 566 3.761 -16.870 12.456 1.00 52.14 C ATOM 366 O GLY A 566 4.450 -17.299 11.532 1.00 74.55 O ATOM 0 H GLY A 566 1.301 -15.446 13.672 1.00 73.00 H new ATOM 0 HA2 GLY A 566 1.823 -17.598 11.848 1.00 33.41 H new ATOM 0 HA3 GLY A 566 2.054 -15.881 11.583 1.00 33.41 H new ATOM 370 N SER A 567 4.231 -16.529 13.646 1.00 11.53 N ATOM 371 CA SER A 567 5.647 -16.643 13.953 1.00 53.02 C ATOM 372 C SER A 567 5.865 -17.711 15.027 1.00 51.33 C ATOM 373 O SER A 567 6.969 -17.853 15.550 1.00 31.40 O ATOM 374 CB SER A 567 6.221 -15.302 14.414 1.00 55.34 C ATOM 375 OG SER A 567 5.437 -14.201 13.960 1.00 35.51 O ATOM 0 H SER A 567 3.656 -16.173 14.410 1.00 11.53 H new ATOM 0 HA SER A 567 6.171 -16.938 13.044 1.00 53.02 H new ATOM 0 HB2 SER A 567 6.274 -15.285 15.503 1.00 55.34 H new ATOM 0 HB3 SER A 567 7.241 -15.198 14.044 1.00 55.34 H new ATOM 0 HG SER A 567 4.654 -14.096 14.539 1.00 35.51 H new ATOM 381 N ASP A 568 4.795 -18.433 15.323 1.00 32.43 N ATOM 382 CA ASP A 568 4.855 -19.484 16.325 1.00 4.14 C ATOM 383 C ASP A 568 4.827 -20.847 15.631 1.00 23.12 C ATOM 384 O ASP A 568 5.200 -21.858 16.225 1.00 43.21 O ATOM 385 CB ASP A 568 3.656 -19.411 17.273 1.00 64.12 C ATOM 386 CG ASP A 568 3.836 -18.479 18.473 1.00 23.41 C ATOM 387 OD1 ASP A 568 3.193 -18.654 19.519 1.00 41.42 O ATOM 388 OD2 ASP A 568 4.691 -17.528 18.302 1.00 74.14 O ATOM 0 H ASP A 568 3.881 -18.311 14.887 1.00 32.43 H new ATOM 0 HA ASP A 568 5.774 -19.353 16.896 1.00 4.14 H new ATOM 0 HB2 ASP A 568 2.784 -19.085 16.707 1.00 64.12 H new ATOM 0 HB3 ASP A 568 3.441 -20.414 17.640 1.00 64.12 H new ATOM 394 N LEU A 569 4.381 -20.831 14.384 1.00 64.13 N ATOM 395 CA LEU A 569 4.300 -22.053 13.602 1.00 32.54 C ATOM 396 C LEU A 569 5.612 -22.257 12.843 1.00 43.21 C ATOM 397 O LEU A 569 6.409 -21.329 12.714 1.00 3.13 O ATOM 398 CB LEU A 569 3.064 -22.031 12.700 1.00 23.22 C ATOM 399 CG LEU A 569 2.913 -20.803 11.800 1.00 22.20 C ATOM 400 CD1 LEU A 569 4.274 -20.329 11.286 1.00 20.32 C ATOM 401 CD2 LEU A 569 1.933 -21.078 10.658 1.00 41.03 C ATOM 0 H LEU A 569 4.072 -19.991 13.895 1.00 64.13 H new ATOM 0 HA LEU A 569 4.173 -22.916 14.256 1.00 32.54 H new ATOM 0 HB2 LEU A 569 3.083 -22.919 12.069 1.00 23.22 H new ATOM 0 HB3 LEU A 569 2.178 -22.107 13.330 1.00 23.22 H new ATOM 0 HG LEU A 569 2.494 -19.992 12.396 1.00 22.20 H new ATOM 0 HD11 LEU A 569 4.138 -19.455 10.649 1.00 20.32 H new ATOM 0 HD12 LEU A 569 4.911 -20.067 12.131 1.00 20.32 H new ATOM 0 HD13 LEU A 569 4.744 -21.127 10.712 1.00 20.32 H new ATOM 0 HD21 LEU A 569 1.844 -20.189 10.033 1.00 41.03 H new ATOM 0 HD22 LEU A 569 2.300 -21.909 10.056 1.00 41.03 H new ATOM 0 HD23 LEU A 569 0.956 -21.332 11.070 1.00 41.03 H new ATOM 413 N ARG A 570 5.796 -23.477 12.360 1.00 44.43 N ATOM 414 CA ARG A 570 6.999 -23.814 11.616 1.00 14.43 C ATOM 415 C ARG A 570 6.662 -24.762 10.464 1.00 32.10 C ATOM 416 O ARG A 570 5.491 -25.028 10.196 1.00 21.34 O ATOM 417 CB ARG A 570 8.040 -24.473 12.523 1.00 51.02 C ATOM 418 CG ARG A 570 8.388 -23.568 13.706 1.00 2.04 C ATOM 419 CD ARG A 570 9.375 -22.476 13.289 1.00 2.35 C ATOM 420 NE ARG A 570 9.291 -21.333 14.226 1.00 54.10 N ATOM 421 CZ ARG A 570 10.296 -20.459 14.447 1.00 71.31 C ATOM 422 NH1 ARG A 570 11.473 -20.591 13.799 1.00 31.21 N ATOM 423 NH2 ARG A 570 10.111 -19.474 15.306 1.00 32.51 N ATOM 0 H ARG A 570 5.133 -24.244 12.469 1.00 44.43 H new ATOM 0 HA ARG A 570 7.414 -22.888 11.219 1.00 14.43 H new ATOM 0 HB2 ARG A 570 7.657 -25.426 12.890 1.00 51.02 H new ATOM 0 HB3 ARG A 570 8.941 -24.691 11.950 1.00 51.02 H new ATOM 0 HG2 ARG A 570 7.480 -23.111 14.099 1.00 2.04 H new ATOM 0 HG3 ARG A 570 8.818 -24.164 14.510 1.00 2.04 H new ATOM 0 HD2 ARG A 570 10.389 -22.875 13.280 1.00 2.35 H new ATOM 0 HD3 ARG A 570 9.154 -22.143 12.275 1.00 2.35 H new ATOM 0 HE ARG A 570 8.419 -21.197 14.737 1.00 54.10 H new ATOM 0 HH11 ARG A 570 11.608 -21.355 13.137 1.00 31.21 H new ATOM 0 HH12 ARG A 570 12.227 -19.927 13.971 1.00 31.21 H new ATOM 0 HH21 ARG A 570 9.219 -19.382 15.792 1.00 32.51 H new ATOM 0 HH22 ARG A 570 10.860 -18.805 15.484 1.00 32.51 H new ATOM 436 N LYS A 571 7.709 -25.246 9.813 1.00 62.21 N ATOM 437 CA LYS A 571 7.539 -26.159 8.696 1.00 62.45 C ATOM 438 C LYS A 571 8.171 -27.509 9.044 1.00 11.54 C ATOM 439 O LYS A 571 9.374 -27.590 9.287 1.00 20.41 O ATOM 440 CB LYS A 571 8.086 -25.539 7.408 1.00 10.24 C ATOM 441 CG LYS A 571 7.317 -26.045 6.186 1.00 11.51 C ATOM 442 CD LYS A 571 7.816 -25.370 4.907 1.00 62.34 C ATOM 443 CE LYS A 571 7.547 -23.865 4.940 1.00 42.54 C ATOM 444 NZ LYS A 571 7.350 -23.343 3.569 1.00 75.35 N ATOM 0 H LYS A 571 8.679 -25.023 10.038 1.00 62.21 H new ATOM 0 HA LYS A 571 6.480 -26.340 8.511 1.00 62.45 H new ATOM 0 HB2 LYS A 571 8.013 -24.453 7.464 1.00 10.24 H new ATOM 0 HB3 LYS A 571 9.143 -25.783 7.303 1.00 10.24 H new ATOM 0 HG2 LYS A 571 7.433 -27.125 6.100 1.00 11.51 H new ATOM 0 HG3 LYS A 571 6.253 -25.848 6.314 1.00 11.51 H new ATOM 0 HD2 LYS A 571 8.885 -25.549 4.790 1.00 62.34 H new ATOM 0 HD3 LYS A 571 7.322 -25.812 4.042 1.00 62.34 H new ATOM 0 HE2 LYS A 571 6.663 -23.661 5.544 1.00 42.54 H new ATOM 0 HE3 LYS A 571 8.383 -23.351 5.415 1.00 42.54 H new ATOM 0 HZ1 LYS A 571 7.069 -22.343 3.615 1.00 75.35 H new ATOM 0 HZ2 LYS A 571 8.238 -23.428 3.034 1.00 75.35 H new ATOM 0 HZ3 LYS A 571 6.605 -23.890 3.093 1.00 75.35 H new ATOM 457 N VAL A 572 7.331 -28.533 9.058 1.00 21.24 N ATOM 458 CA VAL A 572 7.792 -29.875 9.374 1.00 43.44 C ATOM 459 C VAL A 572 8.497 -30.467 8.152 1.00 62.03 C ATOM 460 O VAL A 572 7.863 -30.730 7.131 1.00 34.14 O ATOM 461 CB VAL A 572 6.621 -30.730 9.861 1.00 52.31 C ATOM 462 CG1 VAL A 572 6.856 -32.209 9.552 1.00 63.42 C ATOM 463 CG2 VAL A 572 6.369 -30.515 11.355 1.00 43.33 C ATOM 0 H VAL A 572 6.334 -28.461 8.856 1.00 21.24 H new ATOM 0 HA VAL A 572 8.517 -29.848 10.187 1.00 43.44 H new ATOM 0 HB VAL A 572 5.728 -30.413 9.322 1.00 52.31 H new ATOM 0 HG11 VAL A 572 6.009 -32.794 9.909 1.00 63.42 H new ATOM 0 HG12 VAL A 572 6.962 -32.343 8.476 1.00 63.42 H new ATOM 0 HG13 VAL A 572 7.765 -32.545 10.051 1.00 63.42 H new ATOM 0 HG21 VAL A 572 5.531 -31.135 11.676 1.00 43.33 H new ATOM 0 HG22 VAL A 572 7.261 -30.791 11.918 1.00 43.33 H new ATOM 0 HG23 VAL A 572 6.135 -29.466 11.537 1.00 43.33 H new ATOM 473 N GLU A 573 9.800 -30.660 8.296 1.00 41.33 N ATOM 474 CA GLU A 573 10.598 -31.216 7.216 1.00 22.25 C ATOM 475 C GLU A 573 10.265 -30.519 5.896 1.00 42.20 C ATOM 476 O GLU A 573 10.292 -31.143 4.836 1.00 12.14 O ATOM 477 CB GLU A 573 10.392 -32.728 7.105 1.00 32.03 C ATOM 478 CG GLU A 573 8.958 -33.056 6.685 1.00 72.32 C ATOM 479 CD GLU A 573 8.839 -34.513 6.231 1.00 43.54 C ATOM 480 OE1 GLU A 573 9.439 -34.896 5.215 1.00 12.11 O ATOM 481 OE2 GLU A 573 8.093 -35.257 6.975 1.00 50.35 O ATOM 0 H GLU A 573 10.323 -30.441 9.144 1.00 41.33 H new ATOM 0 HA GLU A 573 11.650 -31.041 7.441 1.00 22.25 H new ATOM 0 HB2 GLU A 573 11.091 -33.142 6.378 1.00 32.03 H new ATOM 0 HB3 GLU A 573 10.611 -33.200 8.063 1.00 32.03 H new ATOM 0 HG2 GLU A 573 8.280 -32.875 7.519 1.00 72.32 H new ATOM 0 HG3 GLU A 573 8.652 -32.393 5.876 1.00 72.32 H new ATOM 489 N GLY A 574 9.959 -29.234 6.003 1.00 63.12 N ATOM 490 CA GLY A 574 9.621 -28.445 4.830 1.00 25.22 C ATOM 491 C GLY A 574 8.661 -29.207 3.915 1.00 63.34 C ATOM 492 O GLY A 574 8.789 -29.154 2.692 1.00 3.44 O ATOM 0 H GLY A 574 9.938 -28.720 6.884 1.00 63.12 H new ATOM 0 HA2 GLY A 574 9.165 -27.504 5.139 1.00 25.22 H new ATOM 0 HA3 GLY A 574 10.529 -28.194 4.282 1.00 25.22 H new ATOM 496 N THR A 575 7.721 -29.899 4.541 1.00 30.30 N ATOM 497 CA THR A 575 6.740 -30.671 3.798 1.00 74.31 C ATOM 498 C THR A 575 5.358 -30.023 3.906 1.00 20.03 C ATOM 499 O THR A 575 4.692 -29.800 2.896 1.00 20.05 O ATOM 500 CB THR A 575 6.778 -32.110 4.317 1.00 2.11 C ATOM 501 OG1 THR A 575 7.994 -32.636 3.792 1.00 73.14 O ATOM 502 CG2 THR A 575 5.691 -32.987 3.692 1.00 25.33 C ATOM 0 H THR A 575 7.618 -29.941 5.555 1.00 30.30 H new ATOM 0 HA THR A 575 6.975 -30.688 2.734 1.00 74.31 H new ATOM 0 HB THR A 575 6.663 -32.108 5.401 1.00 2.11 H new ATOM 0 HG1 THR A 575 7.976 -33.615 3.843 1.00 73.14 H new ATOM 0 HG21 THR A 575 5.763 -33.997 4.094 1.00 25.33 H new ATOM 0 HG22 THR A 575 4.710 -32.572 3.925 1.00 25.33 H new ATOM 0 HG23 THR A 575 5.825 -33.017 2.611 1.00 25.33 H new ATOM 510 N HIS A 576 4.968 -29.739 5.140 1.00 3.32 N ATOM 511 CA HIS A 576 3.678 -29.120 5.394 1.00 70.52 C ATOM 512 C HIS A 576 3.766 -28.245 6.645 1.00 14.23 C ATOM 513 O HIS A 576 4.270 -28.681 7.679 1.00 70.22 O ATOM 514 CB HIS A 576 2.577 -30.179 5.487 1.00 63.03 C ATOM 515 CG HIS A 576 2.267 -30.859 4.175 1.00 52.05 C ATOM 516 ND1 HIS A 576 2.274 -32.235 4.023 1.00 55.40 N ATOM 517 CD2 HIS A 576 1.940 -30.339 2.957 1.00 51.13 C ATOM 518 CE1 HIS A 576 1.964 -32.518 2.766 1.00 22.44 C ATOM 519 NE2 HIS A 576 1.758 -31.342 2.107 1.00 23.30 N ATOM 0 H HIS A 576 5.523 -29.926 5.975 1.00 3.32 H new ATOM 0 HA HIS A 576 3.410 -28.473 4.559 1.00 70.52 H new ATOM 0 HB2 HIS A 576 2.874 -30.934 6.215 1.00 63.03 H new ATOM 0 HB3 HIS A 576 1.668 -29.711 5.866 1.00 63.03 H new ATOM 0 HD2 HIS A 576 1.845 -29.289 2.724 1.00 51.13 H new ATOM 0 HE1 HIS A 576 1.888 -33.507 2.338 1.00 22.44 H new ATOM 0 HE2 HIS A 576 1.506 -31.249 1.123 1.00 23.30 H new ATOM 527 N HIS A 577 3.267 -27.025 6.511 1.00 53.21 N ATOM 528 CA HIS A 577 3.282 -26.084 7.618 1.00 42.31 C ATOM 529 C HIS A 577 2.540 -26.685 8.813 1.00 11.10 C ATOM 530 O HIS A 577 1.540 -27.380 8.642 1.00 73.15 O ATOM 531 CB HIS A 577 2.715 -24.730 7.188 1.00 51.54 C ATOM 532 CG HIS A 577 3.202 -24.261 5.837 1.00 2.54 C ATOM 533 ND1 HIS A 577 4.164 -23.276 5.688 1.00 72.52 N ATOM 534 CD2 HIS A 577 2.852 -24.651 4.578 1.00 32.15 C ATOM 535 CE1 HIS A 577 4.374 -23.091 4.393 1.00 1.40 C ATOM 536 NE2 HIS A 577 3.560 -23.943 3.707 1.00 34.12 N ATOM 0 H HIS A 577 2.850 -26.666 5.652 1.00 53.21 H new ATOM 0 HA HIS A 577 4.310 -25.900 7.929 1.00 42.31 H new ATOM 0 HB2 HIS A 577 1.627 -24.793 7.169 1.00 51.54 H new ATOM 0 HB3 HIS A 577 2.978 -23.983 7.937 1.00 51.54 H new ATOM 0 HD2 HIS A 577 2.122 -25.408 4.331 1.00 32.15 H new ATOM 0 HE1 HIS A 577 5.069 -22.388 3.957 1.00 1.40 H new ATOM 0 HE2 HIS A 577 3.504 -24.023 2.692 1.00 34.12 H new ATOM 544 N VAL A 578 3.058 -26.395 9.997 1.00 23.24 N ATOM 545 CA VAL A 578 2.457 -26.898 11.221 1.00 63.52 C ATOM 546 C VAL A 578 2.706 -25.901 12.354 1.00 63.10 C ATOM 547 O VAL A 578 3.835 -25.456 12.557 1.00 12.02 O ATOM 548 CB VAL A 578 2.992 -28.299 11.529 1.00 55.23 C ATOM 549 CG1 VAL A 578 2.456 -29.323 10.526 1.00 45.54 C ATOM 550 CG2 VAL A 578 4.521 -28.308 11.558 1.00 2.34 C ATOM 0 H VAL A 578 3.888 -25.818 10.135 1.00 23.24 H new ATOM 0 HA VAL A 578 1.378 -26.995 11.105 1.00 63.52 H new ATOM 0 HB VAL A 578 2.637 -28.583 12.520 1.00 55.23 H new ATOM 0 HG11 VAL A 578 2.851 -30.310 10.767 1.00 45.54 H new ATOM 0 HG12 VAL A 578 1.367 -29.346 10.576 1.00 45.54 H new ATOM 0 HG13 VAL A 578 2.767 -29.044 9.519 1.00 45.54 H new ATOM 0 HG21 VAL A 578 4.875 -29.315 11.779 1.00 2.34 H new ATOM 0 HG22 VAL A 578 4.905 -27.993 10.588 1.00 2.34 H new ATOM 0 HG23 VAL A 578 4.874 -27.622 12.328 1.00 2.34 H new ATOM 560 N ASN A 579 1.634 -25.579 13.062 1.00 31.33 N ATOM 561 CA ASN A 579 1.722 -24.643 14.170 1.00 52.32 C ATOM 562 C ASN A 579 1.885 -25.420 15.478 1.00 42.14 C ATOM 563 O ASN A 579 1.122 -26.344 15.754 1.00 64.41 O ATOM 564 CB ASN A 579 0.451 -23.797 14.278 1.00 25.01 C ATOM 565 CG ASN A 579 0.384 -23.080 15.628 1.00 52.53 C ATOM 566 OD1 ASN A 579 0.043 -23.654 16.649 1.00 53.42 O ATOM 567 ND2 ASN A 579 0.727 -21.796 15.576 1.00 52.44 N ATOM 0 H ASN A 579 0.699 -25.950 12.890 1.00 31.33 H new ATOM 0 HA ASN A 579 2.577 -23.990 13.993 1.00 52.32 H new ATOM 0 HB2 ASN A 579 0.428 -23.064 13.471 1.00 25.01 H new ATOM 0 HB3 ASN A 579 -0.425 -24.433 14.156 1.00 25.01 H new ATOM 0 HD21 ASN A 579 0.714 -21.230 16.424 1.00 52.44 H new ATOM 0 HD22 ASN A 579 1.003 -21.377 14.688 1.00 52.44 H new ATOM 574 N VAL A 580 2.885 -25.016 16.248 1.00 71.14 N ATOM 575 CA VAL A 580 3.158 -25.663 17.520 1.00 62.03 C ATOM 576 C VAL A 580 2.746 -24.730 18.660 1.00 25.13 C ATOM 577 O VAL A 580 3.119 -23.558 18.673 1.00 11.13 O ATOM 578 CB VAL A 580 4.629 -26.080 17.590 1.00 53.15 C ATOM 579 CG1 VAL A 580 4.840 -27.172 18.640 1.00 75.43 C ATOM 580 CG2 VAL A 580 5.136 -26.532 16.219 1.00 41.43 C ATOM 0 H VAL A 580 3.516 -24.249 16.015 1.00 71.14 H new ATOM 0 HA VAL A 580 2.570 -26.576 17.618 1.00 62.03 H new ATOM 0 HB VAL A 580 5.210 -25.209 17.892 1.00 53.15 H new ATOM 0 HG11 VAL A 580 5.894 -27.450 18.669 1.00 75.43 H new ATOM 0 HG12 VAL A 580 4.536 -26.800 19.618 1.00 75.43 H new ATOM 0 HG13 VAL A 580 4.241 -28.046 18.382 1.00 75.43 H new ATOM 0 HG21 VAL A 580 6.184 -26.823 16.296 1.00 41.43 H new ATOM 0 HG22 VAL A 580 4.547 -27.383 15.876 1.00 41.43 H new ATOM 0 HG23 VAL A 580 5.039 -25.713 15.507 1.00 41.43 H new ATOM 590 N ASN A 581 1.983 -25.285 19.590 1.00 24.42 N ATOM 591 CA ASN A 581 1.517 -24.518 20.732 1.00 1.33 C ATOM 592 C ASN A 581 0.588 -25.388 21.581 1.00 1.23 C ATOM 593 O ASN A 581 -0.188 -26.178 21.047 1.00 71.20 O ATOM 594 CB ASN A 581 0.730 -23.285 20.283 1.00 3.11 C ATOM 595 CG ASN A 581 0.803 -22.175 21.334 1.00 44.14 C ATOM 596 OD1 ASN A 581 1.745 -21.401 21.392 1.00 31.23 O ATOM 597 ND2 ASN A 581 -0.240 -22.140 22.157 1.00 31.34 N ATOM 0 H ASN A 581 1.676 -26.258 19.576 1.00 24.42 H new ATOM 0 HA ASN A 581 2.389 -24.201 21.304 1.00 1.33 H new ATOM 0 HB2 ASN A 581 1.128 -22.921 19.336 1.00 3.11 H new ATOM 0 HB3 ASN A 581 -0.311 -23.557 20.108 1.00 3.11 H new ATOM 0 HD21 ASN A 581 -0.286 -21.435 22.893 1.00 31.34 H new ATOM 0 HD22 ASN A 581 -0.995 -22.818 22.053 1.00 31.34 H new ATOM 604 N PRO A 582 0.701 -25.208 22.925 1.00 62.43 N ATOM 605 CA PRO A 582 -0.119 -25.968 23.853 1.00 52.22 C ATOM 606 C PRO A 582 -1.557 -25.444 23.869 1.00 62.31 C ATOM 607 O PRO A 582 -2.506 -26.227 23.882 1.00 40.52 O ATOM 608 CB PRO A 582 0.578 -25.831 25.197 1.00 71.34 C ATOM 609 CG PRO A 582 1.497 -24.627 25.069 1.00 60.31 C ATOM 610 CD PRO A 582 1.610 -24.281 23.593 1.00 34.31 C ATOM 0 HA PRO A 582 -0.211 -27.017 23.572 1.00 52.22 H new ATOM 0 HB2 PRO A 582 -0.146 -25.686 25.999 1.00 71.34 H new ATOM 0 HB3 PRO A 582 1.144 -26.731 25.437 1.00 71.34 H new ATOM 0 HG2 PRO A 582 1.099 -23.781 25.630 1.00 60.31 H new ATOM 0 HG3 PRO A 582 2.479 -24.851 25.485 1.00 60.31 H new ATOM 0 HD2 PRO A 582 1.327 -23.245 23.406 1.00 34.31 H new ATOM 0 HD3 PRO A 582 2.632 -24.402 23.235 1.00 34.31 H new ATOM 618 N ASN A 583 -1.672 -24.124 23.868 1.00 70.44 N ATOM 619 CA ASN A 583 -2.978 -23.487 23.882 1.00 62.22 C ATOM 620 C ASN A 583 -3.769 -23.928 22.648 1.00 2.53 C ATOM 621 O ASN A 583 -4.987 -23.762 22.596 1.00 65.22 O ATOM 622 CB ASN A 583 -2.847 -21.963 23.841 1.00 75.44 C ATOM 623 CG ASN A 583 -1.705 -21.486 24.740 1.00 73.31 C ATOM 624 OD1 ASN A 583 -1.152 -22.231 25.533 1.00 54.23 O ATOM 625 ND2 ASN A 583 -1.384 -20.207 24.573 1.00 10.52 N ATOM 0 H ASN A 583 -0.882 -23.478 23.858 1.00 70.44 H new ATOM 0 HA ASN A 583 -3.487 -23.781 24.800 1.00 62.22 H new ATOM 0 HB2 ASN A 583 -2.668 -21.637 22.816 1.00 75.44 H new ATOM 0 HB3 ASN A 583 -3.783 -21.505 24.162 1.00 75.44 H new ATOM 0 HD21 ASN A 583 -0.634 -19.793 25.126 1.00 10.52 H new ATOM 0 HD22 ASN A 583 -1.888 -19.640 23.891 1.00 10.52 H new ATOM 632 N PHE A 584 -3.044 -24.480 21.686 1.00 12.42 N ATOM 633 CA PHE A 584 -3.663 -24.945 20.457 1.00 40.14 C ATOM 634 C PHE A 584 -4.648 -26.083 20.735 1.00 45.43 C ATOM 635 O PHE A 584 -5.688 -26.180 20.087 1.00 55.24 O ATOM 636 CB PHE A 584 -2.539 -25.467 19.560 1.00 63.00 C ATOM 637 CG PHE A 584 -2.751 -25.189 18.070 1.00 22.04 C ATOM 638 CD1 PHE A 584 -2.875 -23.909 17.628 1.00 4.15 C ATOM 639 CD2 PHE A 584 -2.815 -26.222 17.188 1.00 35.23 C ATOM 640 CE1 PHE A 584 -3.071 -23.651 16.246 1.00 53.10 C ATOM 641 CE2 PHE A 584 -3.012 -25.964 15.806 1.00 73.21 C ATOM 642 CZ PHE A 584 -3.136 -24.684 15.364 1.00 70.11 C ATOM 0 H PHE A 584 -2.034 -24.615 21.733 1.00 12.42 H new ATOM 0 HA PHE A 584 -4.214 -24.131 19.987 1.00 40.14 H new ATOM 0 HB2 PHE A 584 -1.598 -25.014 19.873 1.00 63.00 H new ATOM 0 HB3 PHE A 584 -2.440 -26.542 19.708 1.00 63.00 H new ATOM 0 HD1 PHE A 584 -2.824 -23.089 18.329 1.00 4.15 H new ATOM 0 HD2 PHE A 584 -2.716 -27.239 17.539 1.00 35.23 H new ATOM 0 HE1 PHE A 584 -3.169 -22.634 15.895 1.00 53.10 H new ATOM 0 HE2 PHE A 584 -3.063 -26.784 15.106 1.00 73.21 H new ATOM 0 HZ PHE A 584 -3.286 -24.488 14.313 1.00 70.11 H new ATOM 652 N SER A 585 -4.284 -26.915 21.699 1.00 4.22 N ATOM 653 CA SER A 585 -5.122 -28.042 22.071 1.00 41.00 C ATOM 654 C SER A 585 -6.499 -27.546 22.515 1.00 54.33 C ATOM 655 O SER A 585 -7.491 -28.262 22.390 1.00 32.51 O ATOM 656 CB SER A 585 -4.472 -28.869 23.182 1.00 11.55 C ATOM 657 OG SER A 585 -5.419 -29.689 23.861 1.00 73.44 O ATOM 0 H SER A 585 -3.420 -26.831 22.234 1.00 4.22 H new ATOM 0 HA SER A 585 -5.238 -28.684 21.198 1.00 41.00 H new ATOM 0 HB2 SER A 585 -3.689 -29.496 22.756 1.00 11.55 H new ATOM 0 HB3 SER A 585 -3.992 -28.201 23.897 1.00 11.55 H new ATOM 0 HG SER A 585 -4.965 -30.202 24.561 1.00 73.44 H new ATOM 663 N ASN A 586 -6.517 -26.322 23.023 1.00 23.44 N ATOM 664 CA ASN A 586 -7.756 -25.722 23.486 1.00 12.23 C ATOM 665 C ASN A 586 -8.449 -25.025 22.314 1.00 52.13 C ATOM 666 O ASN A 586 -9.612 -24.638 22.416 1.00 33.05 O ATOM 667 CB ASN A 586 -7.490 -24.674 24.569 1.00 42.14 C ATOM 668 CG ASN A 586 -7.472 -25.313 25.958 1.00 30.34 C ATOM 669 OD1 ASN A 586 -8.037 -24.803 26.912 1.00 25.12 O ATOM 670 ND2 ASN A 586 -6.794 -26.456 26.020 1.00 41.24 N ATOM 0 H ASN A 586 -5.693 -25.730 23.124 1.00 23.44 H new ATOM 0 HA ASN A 586 -8.381 -26.515 23.897 1.00 12.23 H new ATOM 0 HB2 ASN A 586 -6.536 -24.183 24.378 1.00 42.14 H new ATOM 0 HB3 ASN A 586 -8.259 -23.902 24.530 1.00 42.14 H new ATOM 0 HD21 ASN A 586 -6.724 -26.960 26.904 1.00 41.24 H new ATOM 0 HD22 ASN A 586 -6.344 -26.828 25.184 1.00 41.24 H new ATOM 677 N TYR A 587 -7.705 -24.886 21.226 1.00 14.11 N ATOM 678 CA TYR A 587 -8.234 -24.242 20.035 1.00 22.33 C ATOM 679 C TYR A 587 -8.728 -25.280 19.025 1.00 40.41 C ATOM 680 O TYR A 587 -9.089 -24.934 17.901 1.00 45.21 O ATOM 681 CB TYR A 587 -7.066 -23.466 19.422 1.00 34.52 C ATOM 682 CG TYR A 587 -6.914 -22.043 19.961 1.00 2.15 C ATOM 683 CD1 TYR A 587 -8.029 -21.250 20.141 1.00 1.31 C ATOM 684 CD2 TYR A 587 -5.661 -21.552 20.268 1.00 11.23 C ATOM 685 CE1 TYR A 587 -7.885 -19.910 20.649 1.00 53.23 C ATOM 686 CE2 TYR A 587 -5.517 -20.212 20.776 1.00 54.11 C ATOM 687 CZ TYR A 587 -6.637 -19.457 20.941 1.00 23.11 C ATOM 688 OH TYR A 587 -6.501 -18.192 21.420 1.00 10.45 O ATOM 0 H TYR A 587 -6.741 -25.208 21.144 1.00 14.11 H new ATOM 0 HA TYR A 587 -9.077 -23.598 20.288 1.00 22.33 H new ATOM 0 HB2 TYR A 587 -6.142 -24.014 19.607 1.00 34.52 H new ATOM 0 HB3 TYR A 587 -7.200 -23.422 18.341 1.00 34.52 H new ATOM 0 HD1 TYR A 587 -9.009 -21.634 19.901 1.00 1.31 H new ATOM 0 HD2 TYR A 587 -4.788 -22.173 20.127 1.00 11.23 H new ATOM 0 HE1 TYR A 587 -8.749 -19.279 20.795 1.00 53.23 H new ATOM 0 HE2 TYR A 587 -4.543 -19.816 21.020 1.00 54.11 H new ATOM 0 HH TYR A 587 -6.451 -17.562 20.671 1.00 10.45 H new ATOM 698 N TYR A 588 -8.729 -26.530 19.462 1.00 62.54 N ATOM 699 CA TYR A 588 -9.173 -27.620 18.609 1.00 22.33 C ATOM 700 C TYR A 588 -9.351 -28.909 19.415 1.00 15.30 C ATOM 701 O TYR A 588 -8.785 -29.052 20.498 1.00 53.44 O ATOM 702 CB TYR A 588 -8.062 -27.828 17.578 1.00 73.15 C ATOM 703 CG TYR A 588 -6.887 -28.664 18.088 1.00 72.30 C ATOM 704 CD1 TYR A 588 -7.060 -30.008 18.353 1.00 1.20 C ATOM 705 CD2 TYR A 588 -5.655 -28.075 18.283 1.00 25.44 C ATOM 706 CE1 TYR A 588 -5.954 -30.795 18.833 1.00 1.14 C ATOM 707 CE2 TYR A 588 -4.549 -28.862 18.764 1.00 65.51 C ATOM 708 CZ TYR A 588 -4.753 -30.183 19.015 1.00 22.41 C ATOM 709 OH TYR A 588 -3.708 -30.927 19.469 1.00 52.22 O ATOM 0 H TYR A 588 -8.430 -26.813 20.395 1.00 62.54 H new ATOM 0 HA TYR A 588 -10.132 -27.381 18.149 1.00 22.33 H new ATOM 0 HB2 TYR A 588 -8.484 -28.313 16.697 1.00 73.15 H new ATOM 0 HB3 TYR A 588 -7.690 -26.854 17.259 1.00 73.15 H new ATOM 0 HD1 TYR A 588 -8.025 -30.469 18.200 1.00 1.20 H new ATOM 0 HD2 TYR A 588 -5.520 -27.024 18.075 1.00 25.44 H new ATOM 0 HE1 TYR A 588 -6.075 -31.847 19.044 1.00 1.14 H new ATOM 0 HE2 TYR A 588 -3.579 -28.413 18.922 1.00 65.51 H new ATOM 0 HH TYR A 588 -2.913 -30.359 19.550 1.00 52.22 H new ATOM 719 N ASN A 589 -10.141 -29.814 18.856 1.00 41.12 N ATOM 720 CA ASN A 589 -10.401 -31.086 19.509 1.00 53.42 C ATOM 721 C ASN A 589 -10.174 -32.223 18.511 1.00 41.55 C ATOM 722 O ASN A 589 -10.684 -32.182 17.392 1.00 63.32 O ATOM 723 CB ASN A 589 -11.849 -31.168 19.997 1.00 2.32 C ATOM 724 CG ASN A 589 -12.091 -30.203 21.159 1.00 10.34 C ATOM 725 OD1 ASN A 589 -12.194 -30.591 22.312 1.00 43.15 O ATOM 726 ND2 ASN A 589 -12.176 -28.927 20.794 1.00 13.32 N ATOM 0 H ASN A 589 -10.610 -29.692 17.958 1.00 41.12 H new ATOM 0 HA ASN A 589 -9.727 -31.171 20.361 1.00 53.42 H new ATOM 0 HB2 ASN A 589 -12.527 -30.932 19.177 1.00 2.32 H new ATOM 0 HB3 ASN A 589 -12.073 -32.187 20.313 1.00 2.32 H new ATOM 0 HD21 ASN A 589 -12.336 -28.205 21.497 1.00 13.32 H new ATOM 0 HD22 ASN A 589 -12.081 -28.670 19.811 1.00 13.32 H new ATOM 733 N VAL A 590 -9.408 -33.210 18.951 1.00 0.32 N ATOM 734 CA VAL A 590 -9.107 -34.356 18.110 1.00 2.23 C ATOM 735 C VAL A 590 -10.355 -35.231 17.982 1.00 31.25 C ATOM 736 O VAL A 590 -11.027 -35.509 18.975 1.00 70.14 O ATOM 737 CB VAL A 590 -7.901 -35.113 18.670 1.00 45.23 C ATOM 738 CG1 VAL A 590 -7.815 -36.522 18.079 1.00 15.43 C ATOM 739 CG2 VAL A 590 -6.605 -34.337 18.425 1.00 1.44 C ATOM 0 H VAL A 590 -8.987 -33.240 19.879 1.00 0.32 H new ATOM 0 HA VAL A 590 -8.833 -34.032 17.106 1.00 2.23 H new ATOM 0 HB VAL A 590 -8.037 -35.209 19.747 1.00 45.23 H new ATOM 0 HG11 VAL A 590 -6.949 -37.038 18.494 1.00 15.43 H new ATOM 0 HG12 VAL A 590 -8.721 -37.076 18.326 1.00 15.43 H new ATOM 0 HG13 VAL A 590 -7.714 -36.457 16.996 1.00 15.43 H new ATOM 0 HG21 VAL A 590 -5.763 -34.897 18.833 1.00 1.44 H new ATOM 0 HG22 VAL A 590 -6.462 -34.196 17.354 1.00 1.44 H new ATOM 0 HG23 VAL A 590 -6.665 -33.365 18.914 1.00 1.44 H new ATOM 749 N SER A 591 -10.628 -35.641 16.753 1.00 62.54 N ATOM 750 CA SER A 591 -11.784 -36.480 16.482 1.00 5.32 C ATOM 751 C SER A 591 -11.673 -37.791 17.262 1.00 23.22 C ATOM 752 O SER A 591 -10.594 -38.375 17.352 1.00 3.22 O ATOM 753 CB SER A 591 -11.920 -36.763 14.985 1.00 55.51 C ATOM 754 OG SER A 591 -10.823 -37.519 14.482 1.00 64.11 O ATOM 0 H SER A 591 -10.069 -35.408 15.932 1.00 62.54 H new ATOM 0 HA SER A 591 -12.678 -35.946 16.806 1.00 5.32 H new ATOM 0 HB2 SER A 591 -12.848 -37.305 14.802 1.00 55.51 H new ATOM 0 HB3 SER A 591 -11.989 -35.820 14.443 1.00 55.51 H new ATOM 0 HG SER A 591 -11.124 -38.073 13.732 1.00 64.11 H new ATOM 966 N TRP A 604 7.387 -38.979 10.508 1.00 74.52 N ATOM 967 CA TRP A 604 6.501 -38.591 11.593 1.00 63.52 C ATOM 968 C TRP A 604 5.328 -39.573 11.620 1.00 63.41 C ATOM 969 O TRP A 604 5.093 -40.292 10.650 1.00 64.40 O ATOM 970 CB TRP A 604 6.058 -37.135 11.445 1.00 42.35 C ATOM 971 CG TRP A 604 5.255 -36.855 10.173 1.00 40.13 C ATOM 972 CD1 TRP A 604 4.988 -37.696 9.164 1.00 14.41 C ATOM 973 CD2 TRP A 604 4.622 -35.609 9.812 1.00 33.14 C ATOM 974 NE1 TRP A 604 4.231 -37.085 8.184 1.00 64.50 N ATOM 975 CE2 TRP A 604 4.002 -35.776 8.591 1.00 72.30 C ATOM 976 CE3 TRP A 604 4.574 -34.381 10.496 1.00 21.52 C ATOM 977 CZ2 TRP A 604 3.290 -34.758 7.947 1.00 52.53 C ATOM 978 CZ3 TRP A 604 3.859 -33.373 9.839 1.00 73.30 C ATOM 979 CH2 TRP A 604 3.229 -33.526 8.609 1.00 1.32 C ATOM 0 HA TRP A 604 7.019 -38.641 12.551 1.00 63.52 H new ATOM 0 HB2 TRP A 604 5.456 -36.859 12.311 1.00 42.35 H new ATOM 0 HB3 TRP A 604 6.940 -36.495 11.454 1.00 42.35 H new ATOM 0 HD1 TRP A 604 5.323 -38.722 9.123 1.00 14.41 H new ATOM 0 HE1 TRP A 604 3.901 -37.515 7.320 1.00 64.50 H new ATOM 0 HE3 TRP A 604 5.051 -34.228 11.453 1.00 21.52 H new ATOM 0 HZ2 TRP A 604 2.813 -34.914 6.991 1.00 52.53 H new ATOM 0 HZ3 TRP A 604 3.792 -32.409 10.321 1.00 73.30 H new ATOM 0 HH2 TRP A 604 2.695 -32.698 8.166 1.00 1.32 H new ATOM 990 N LYS A 605 4.623 -39.572 12.741 1.00 13.13 N ATOM 991 CA LYS A 605 3.480 -40.454 12.908 1.00 52.44 C ATOM 992 C LYS A 605 2.195 -39.623 12.903 1.00 1.42 C ATOM 993 O LYS A 605 2.225 -38.425 13.184 1.00 60.43 O ATOM 994 CB LYS A 605 3.648 -41.319 14.158 1.00 1.01 C ATOM 995 CG LYS A 605 3.737 -40.453 15.416 1.00 2.13 C ATOM 996 CD LYS A 605 3.881 -41.319 16.669 1.00 32.32 C ATOM 997 CE LYS A 605 2.514 -41.621 17.287 1.00 51.41 C ATOM 998 NZ LYS A 605 1.725 -40.377 17.431 1.00 54.13 N ATOM 0 H LYS A 605 4.821 -38.974 13.543 1.00 13.13 H new ATOM 0 HA LYS A 605 3.412 -41.152 12.073 1.00 52.44 H new ATOM 0 HB2 LYS A 605 2.807 -42.007 14.244 1.00 1.01 H new ATOM 0 HB3 LYS A 605 4.548 -41.927 14.066 1.00 1.01 H new ATOM 0 HG2 LYS A 605 4.588 -39.777 15.337 1.00 2.13 H new ATOM 0 HG3 LYS A 605 2.844 -39.833 15.499 1.00 2.13 H new ATOM 0 HD2 LYS A 605 4.383 -42.252 16.415 1.00 32.32 H new ATOM 0 HD3 LYS A 605 4.509 -40.808 17.399 1.00 32.32 H new ATOM 0 HE2 LYS A 605 1.974 -42.331 16.661 1.00 51.41 H new ATOM 0 HE3 LYS A 605 2.645 -42.091 18.262 1.00 51.41 H new ATOM 0 HZ1 LYS A 605 0.894 -40.560 18.030 1.00 54.13 H new ATOM 0 HZ2 LYS A 605 2.314 -39.641 17.871 1.00 54.13 H new ATOM 0 HZ3 LYS A 605 1.412 -40.054 16.493 1.00 54.13 H new ATOM 1011 N PRO A 606 1.068 -40.308 12.573 1.00 21.41 N ATOM 1012 CA PRO A 606 -0.225 -39.647 12.528 1.00 4.44 C ATOM 1013 C PRO A 606 -0.756 -39.385 13.939 1.00 4.32 C ATOM 1014 O PRO A 606 -0.137 -39.786 14.924 1.00 44.53 O ATOM 1015 CB PRO A 606 -1.115 -40.577 11.722 1.00 74.33 C ATOM 1016 CG PRO A 606 -0.428 -41.933 11.741 1.00 42.21 C ATOM 1017 CD PRO A 606 0.995 -41.727 12.235 1.00 52.21 C ATOM 0 HA PRO A 606 -0.178 -38.662 12.064 1.00 4.44 H new ATOM 0 HB2 PRO A 606 -2.112 -40.638 12.158 1.00 74.33 H new ATOM 0 HB3 PRO A 606 -1.235 -40.215 10.701 1.00 74.33 H new ATOM 0 HG2 PRO A 606 -0.963 -42.623 12.394 1.00 42.21 H new ATOM 0 HG3 PRO A 606 -0.426 -42.374 10.744 1.00 42.21 H new ATOM 0 HD2 PRO A 606 1.208 -42.352 13.102 1.00 52.21 H new ATOM 0 HD3 PRO A 606 1.723 -41.989 11.467 1.00 52.21 H new ATOM 1025 N GLY A 607 -1.897 -38.714 13.992 1.00 2.33 N ATOM 1026 CA GLY A 607 -2.518 -38.394 15.266 1.00 12.32 C ATOM 1027 C GLY A 607 -4.039 -38.538 15.186 1.00 73.30 C ATOM 1028 O GLY A 607 -4.557 -39.651 15.104 1.00 12.01 O ATOM 0 H GLY A 607 -2.408 -38.383 13.173 1.00 2.33 H new ATOM 0 HA2 GLY A 607 -2.127 -39.053 16.041 1.00 12.32 H new ATOM 0 HA3 GLY A 607 -2.260 -37.375 15.554 1.00 12.32 H new ATOM 1032 N GLY A 608 -4.712 -37.397 15.212 1.00 34.44 N ATOM 1033 CA GLY A 608 -6.164 -37.383 15.144 1.00 42.13 C ATOM 1034 C GLY A 608 -6.665 -36.145 14.398 1.00 51.33 C ATOM 1035 O GLY A 608 -6.024 -35.096 14.427 1.00 4.34 O ATOM 0 H GLY A 608 -4.279 -36.476 15.279 1.00 34.44 H new ATOM 0 HA2 GLY A 608 -6.517 -38.283 14.641 1.00 42.13 H new ATOM 0 HA3 GLY A 608 -6.579 -37.398 16.152 1.00 42.13 H new ATOM 1039 N VAL A 609 -7.807 -36.308 13.746 1.00 11.21 N ATOM 1040 CA VAL A 609 -8.402 -35.216 12.994 1.00 61.33 C ATOM 1041 C VAL A 609 -8.618 -34.020 13.923 1.00 64.01 C ATOM 1042 O VAL A 609 -9.246 -34.150 14.972 1.00 12.11 O ATOM 1043 CB VAL A 609 -9.691 -35.688 12.317 1.00 22.15 C ATOM 1044 CG1 VAL A 609 -10.181 -34.661 11.295 1.00 62.34 C ATOM 1045 CG2 VAL A 609 -9.499 -37.060 11.669 1.00 62.34 C ATOM 0 H VAL A 609 -8.336 -37.180 13.723 1.00 11.21 H new ATOM 0 HA VAL A 609 -7.732 -34.892 12.198 1.00 61.33 H new ATOM 0 HB VAL A 609 -10.457 -35.786 13.086 1.00 22.15 H new ATOM 0 HG11 VAL A 609 -11.098 -35.021 10.829 1.00 62.34 H new ATOM 0 HG12 VAL A 609 -10.377 -33.713 11.797 1.00 62.34 H new ATOM 0 HG13 VAL A 609 -9.418 -34.516 10.530 1.00 62.34 H new ATOM 0 HG21 VAL A 609 -10.430 -37.372 11.195 1.00 62.34 H new ATOM 0 HG22 VAL A 609 -8.711 -37.001 10.918 1.00 62.34 H new ATOM 0 HG23 VAL A 609 -9.219 -37.787 12.432 1.00 62.34 H new ATOM 1055 N ILE A 610 -8.084 -32.882 13.504 1.00 71.14 N ATOM 1056 CA ILE A 610 -8.210 -31.664 14.285 1.00 14.42 C ATOM 1057 C ILE A 610 -9.390 -30.844 13.758 1.00 60.43 C ATOM 1058 O ILE A 610 -9.798 -31.006 12.609 1.00 71.14 O ATOM 1059 CB ILE A 610 -6.886 -30.897 14.300 1.00 55.34 C ATOM 1060 CG1 ILE A 610 -5.698 -31.852 14.177 1.00 61.41 C ATOM 1061 CG2 ILE A 610 -6.781 -30.007 15.540 1.00 35.52 C ATOM 1062 CD1 ILE A 610 -4.389 -31.149 14.542 1.00 31.24 C ATOM 0 H ILE A 610 -7.563 -32.778 12.633 1.00 71.14 H new ATOM 0 HA ILE A 610 -8.426 -31.901 15.327 1.00 14.42 H new ATOM 0 HB ILE A 610 -6.862 -30.240 13.430 1.00 55.34 H new ATOM 0 HG12 ILE A 610 -5.848 -32.711 14.831 1.00 61.41 H new ATOM 0 HG13 ILE A 610 -5.638 -32.234 13.158 1.00 61.41 H new ATOM 0 HG21 ILE A 610 -5.831 -29.473 15.525 1.00 35.52 H new ATOM 0 HG22 ILE A 610 -7.601 -29.288 15.543 1.00 35.52 H new ATOM 0 HG23 ILE A 610 -6.837 -30.624 16.437 1.00 35.52 H new ATOM 0 HD11 ILE A 610 -3.560 -31.851 14.446 1.00 31.24 H new ATOM 0 HD12 ILE A 610 -4.230 -30.305 13.871 1.00 31.24 H new ATOM 0 HD13 ILE A 610 -4.443 -30.790 15.570 1.00 31.24 H new ATOM 1074 N SER A 611 -9.905 -29.983 14.623 1.00 45.35 N ATOM 1075 CA SER A 611 -11.029 -29.138 14.258 1.00 11.21 C ATOM 1076 C SER A 611 -11.083 -27.914 15.175 1.00 43.24 C ATOM 1077 O SER A 611 -11.219 -28.049 16.389 1.00 14.05 O ATOM 1078 CB SER A 611 -12.346 -29.913 14.330 1.00 13.12 C ATOM 1079 OG SER A 611 -12.274 -31.005 15.243 1.00 63.25 O ATOM 0 H SER A 611 -9.565 -29.852 15.576 1.00 45.35 H new ATOM 0 HA SER A 611 -10.889 -28.807 13.229 1.00 11.21 H new ATOM 0 HB2 SER A 611 -13.147 -29.239 14.634 1.00 13.12 H new ATOM 0 HB3 SER A 611 -12.602 -30.286 13.338 1.00 13.12 H new ATOM 0 HG SER A 611 -11.849 -30.708 16.075 1.00 63.25 H new ATOM 1085 N CYS A 612 -10.972 -26.747 14.557 1.00 0.21 N ATOM 1086 CA CYS A 612 -11.006 -25.500 15.302 1.00 10.30 C ATOM 1087 C CYS A 612 -12.148 -25.577 16.317 1.00 74.42 C ATOM 1088 O CYS A 612 -13.312 -25.704 15.938 1.00 21.25 O ATOM 1089 CB CYS A 612 -11.147 -24.291 14.375 1.00 53.20 C ATOM 1090 SG CYS A 612 -10.776 -22.678 15.156 1.00 54.35 S ATOM 0 H CYS A 612 -10.858 -26.639 13.549 1.00 0.21 H new ATOM 0 HA CYS A 612 -10.062 -25.363 15.829 1.00 10.30 H new ATOM 0 HB2 CYS A 612 -10.484 -24.426 13.521 1.00 53.20 H new ATOM 0 HB3 CYS A 612 -12.165 -24.265 13.987 1.00 53.20 H new ATOM 0 HG CYS A 612 -11.734 -21.839 14.895 1.00 54.35 H new ATOM 1095 N ARG A 613 -11.776 -25.498 17.586 1.00 74.01 N ATOM 1096 CA ARG A 613 -12.755 -25.558 18.658 1.00 54.21 C ATOM 1097 C ARG A 613 -13.585 -24.272 18.692 1.00 63.44 C ATOM 1098 O ARG A 613 -14.716 -24.272 19.174 1.00 12.02 O ATOM 1099 CB ARG A 613 -12.076 -25.754 20.014 1.00 5.45 C ATOM 1100 CG ARG A 613 -13.052 -25.485 21.161 1.00 34.42 C ATOM 1101 CD ARG A 613 -12.366 -25.658 22.518 1.00 51.13 C ATOM 1102 NE ARG A 613 -13.238 -26.430 23.431 1.00 2.34 N ATOM 1103 CZ ARG A 613 -14.297 -25.909 24.087 1.00 41.02 C ATOM 1104 NH1 ARG A 613 -14.625 -24.608 23.935 1.00 61.33 N ATOM 1105 NH2 ARG A 613 -15.007 -26.691 24.879 1.00 41.41 N ATOM 0 H ARG A 613 -10.810 -25.393 17.896 1.00 74.01 H new ATOM 0 HA ARG A 613 -13.406 -26.410 18.464 1.00 54.21 H new ATOM 0 HB2 ARG A 613 -11.693 -26.772 20.089 1.00 5.45 H new ATOM 0 HB3 ARG A 613 -11.220 -25.084 20.096 1.00 5.45 H new ATOM 0 HG2 ARG A 613 -13.448 -24.473 21.076 1.00 34.42 H new ATOM 0 HG3 ARG A 613 -13.900 -26.166 21.089 1.00 34.42 H new ATOM 0 HD2 ARG A 613 -11.413 -26.172 22.390 1.00 51.13 H new ATOM 0 HD3 ARG A 613 -12.146 -24.682 22.951 1.00 51.13 H new ATOM 0 HE ARG A 613 -13.026 -27.417 23.574 1.00 2.34 H new ATOM 0 HH11 ARG A 613 -14.071 -24.011 23.321 1.00 61.33 H new ATOM 0 HH12 ARG A 613 -15.427 -24.222 24.434 1.00 61.33 H new ATOM 0 HH21 ARG A 613 -14.752 -27.673 24.988 1.00 41.41 H new ATOM 0 HH22 ARG A 613 -15.810 -26.313 25.382 1.00 41.41 H new ATOM 1118 N ASN A 614 -12.990 -23.208 18.173 1.00 62.42 N ATOM 1119 CA ASN A 614 -13.659 -21.919 18.137 1.00 34.34 C ATOM 1120 C ASN A 614 -14.839 -21.989 17.165 1.00 4.50 C ATOM 1121 O ASN A 614 -15.889 -21.399 17.415 1.00 71.34 O ATOM 1122 CB ASN A 614 -12.712 -20.820 17.654 1.00 0.41 C ATOM 1123 CG ASN A 614 -11.821 -20.323 18.795 1.00 70.15 C ATOM 1124 OD1 ASN A 614 -12.210 -20.286 19.950 1.00 34.32 O ATOM 1125 ND2 ASN A 614 -10.607 -19.944 18.407 1.00 63.24 N ATOM 0 H ASN A 614 -12.051 -23.212 17.774 1.00 62.42 H new ATOM 0 HA ASN A 614 -13.996 -21.685 19.147 1.00 34.34 H new ATOM 0 HB2 ASN A 614 -12.092 -21.200 16.843 1.00 0.41 H new ATOM 0 HB3 ASN A 614 -13.290 -19.989 17.250 1.00 0.41 H new ATOM 0 HD21 ASN A 614 -9.937 -19.597 19.094 1.00 63.24 H new ATOM 0 HD22 ASN A 614 -10.345 -20.001 17.423 1.00 63.24 H new ATOM 1132 N CYS A 615 -14.625 -22.713 16.077 1.00 71.52 N ATOM 1133 CA CYS A 615 -15.657 -22.867 15.066 1.00 72.43 C ATOM 1134 C CYS A 615 -15.927 -24.362 14.878 1.00 44.32 C ATOM 1135 O CYS A 615 -16.955 -24.871 15.321 1.00 61.14 O ATOM 1136 CB CYS A 615 -15.267 -22.188 13.751 1.00 33.04 C ATOM 1137 SG CYS A 615 -14.159 -20.744 13.934 1.00 45.34 S ATOM 0 H CYS A 615 -13.752 -23.200 15.873 1.00 71.52 H new ATOM 0 HA CYS A 615 -16.570 -22.373 15.397 1.00 72.43 H new ATOM 0 HB2 CYS A 615 -14.781 -22.923 13.109 1.00 33.04 H new ATOM 0 HB3 CYS A 615 -16.175 -21.869 13.239 1.00 33.04 H new ATOM 0 HG CYS A 615 -13.389 -20.916 14.967 1.00 45.34 H new ATOM 1142 N GLY A 616 -14.985 -25.022 14.220 1.00 22.14 N ATOM 1143 CA GLY A 616 -15.108 -26.448 13.968 1.00 4.15 C ATOM 1144 C GLY A 616 -14.437 -26.831 12.648 1.00 73.14 C ATOM 1145 O GLY A 616 -14.140 -28.002 12.415 1.00 51.32 O ATOM 0 H GLY A 616 -14.134 -24.596 13.854 1.00 22.14 H new ATOM 0 HA2 GLY A 616 -14.653 -27.006 14.787 1.00 4.15 H new ATOM 0 HA3 GLY A 616 -16.161 -26.726 13.939 1.00 4.15 H new ATOM 1149 N GLU A 617 -14.219 -25.822 11.817 1.00 23.02 N ATOM 1150 CA GLU A 617 -13.589 -26.039 10.526 1.00 40.53 C ATOM 1151 C GLU A 617 -12.407 -27.000 10.666 1.00 73.31 C ATOM 1152 O GLU A 617 -11.338 -26.612 11.134 1.00 14.34 O ATOM 1153 CB GLU A 617 -13.146 -24.713 9.903 1.00 73.24 C ATOM 1154 CG GLU A 617 -12.923 -24.863 8.396 1.00 13.03 C ATOM 1155 CD GLU A 617 -14.252 -24.820 7.638 1.00 22.05 C ATOM 1156 OE1 GLU A 617 -15.295 -25.196 8.194 1.00 63.22 O ATOM 1157 OE2 GLU A 617 -14.176 -24.375 6.430 1.00 61.20 O ATOM 0 H GLU A 617 -14.467 -24.852 12.013 1.00 23.02 H new ATOM 0 HA GLU A 617 -14.322 -26.491 9.858 1.00 40.53 H new ATOM 0 HB2 GLU A 617 -13.902 -23.950 10.088 1.00 73.24 H new ATOM 0 HB3 GLU A 617 -12.226 -24.373 10.378 1.00 73.24 H new ATOM 0 HG2 GLU A 617 -12.271 -24.065 8.040 1.00 13.03 H new ATOM 0 HG3 GLU A 617 -12.414 -25.805 8.192 1.00 13.03 H new ATOM 1165 N VAL A 618 -12.640 -28.237 10.251 1.00 4.03 N ATOM 1166 CA VAL A 618 -11.608 -29.257 10.325 1.00 64.22 C ATOM 1167 C VAL A 618 -10.314 -28.713 9.714 1.00 34.32 C ATOM 1168 O VAL A 618 -10.288 -28.332 8.545 1.00 71.20 O ATOM 1169 CB VAL A 618 -12.093 -30.542 9.650 1.00 21.04 C ATOM 1170 CG1 VAL A 618 -10.923 -31.485 9.361 1.00 13.03 C ATOM 1171 CG2 VAL A 618 -13.161 -31.236 10.498 1.00 24.51 C ATOM 0 H VAL A 618 -13.528 -28.555 9.863 1.00 4.03 H new ATOM 0 HA VAL A 618 -11.396 -29.511 11.364 1.00 64.22 H new ATOM 0 HB VAL A 618 -12.546 -30.270 8.697 1.00 21.04 H new ATOM 0 HG11 VAL A 618 -11.295 -32.390 8.881 1.00 13.03 H new ATOM 0 HG12 VAL A 618 -10.212 -30.990 8.700 1.00 13.03 H new ATOM 0 HG13 VAL A 618 -10.428 -31.747 10.296 1.00 13.03 H new ATOM 0 HG21 VAL A 618 -13.489 -32.146 9.996 1.00 24.51 H new ATOM 0 HG22 VAL A 618 -12.744 -31.489 11.473 1.00 24.51 H new ATOM 0 HG23 VAL A 618 -14.012 -30.568 10.630 1.00 24.51 H new ATOM 1181 N TRP A 619 -9.273 -28.695 10.533 1.00 11.42 N ATOM 1182 CA TRP A 619 -7.980 -28.204 10.088 1.00 1.34 C ATOM 1183 C TRP A 619 -7.292 -29.325 9.307 1.00 42.20 C ATOM 1184 O TRP A 619 -6.702 -29.082 8.255 1.00 0.23 O ATOM 1185 CB TRP A 619 -7.148 -27.701 11.270 1.00 32.22 C ATOM 1186 CG TRP A 619 -7.617 -26.359 11.835 1.00 13.11 C ATOM 1187 CD1 TRP A 619 -8.428 -25.460 11.260 1.00 3.34 C ATOM 1188 CD2 TRP A 619 -7.269 -25.797 13.118 1.00 20.11 C ATOM 1189 NE1 TRP A 619 -8.626 -24.364 12.076 1.00 54.15 N ATOM 1190 CE2 TRP A 619 -7.899 -24.576 13.241 1.00 14.22 C ATOM 1191 CE3 TRP A 619 -6.448 -26.304 14.141 1.00 74.41 C ATOM 1192 CZ2 TRP A 619 -7.775 -23.759 14.372 1.00 72.43 C ATOM 1193 CZ3 TRP A 619 -6.334 -25.476 15.264 1.00 35.41 C ATOM 1194 CH2 TRP A 619 -6.963 -24.244 15.403 1.00 25.34 C ATOM 0 H TRP A 619 -9.298 -29.012 11.502 1.00 11.42 H new ATOM 0 HA TRP A 619 -8.100 -27.344 9.430 1.00 1.34 H new ATOM 0 HB2 TRP A 619 -7.175 -28.447 12.064 1.00 32.22 H new ATOM 0 HB3 TRP A 619 -6.108 -27.608 10.956 1.00 32.22 H new ATOM 0 HD1 TRP A 619 -8.871 -25.578 10.282 1.00 3.34 H new ATOM 0 HE1 TRP A 619 -9.200 -23.549 11.863 1.00 54.15 H new ATOM 0 HE3 TRP A 619 -5.945 -27.257 14.066 1.00 74.41 H new ATOM 0 HZ2 TRP A 619 -8.279 -22.806 14.444 1.00 72.43 H new ATOM 0 HZ3 TRP A 619 -5.714 -25.818 16.079 1.00 35.41 H new ATOM 0 HH2 TRP A 619 -6.825 -23.664 16.303 1.00 25.34 H new ATOM 1205 N GLY A 620 -7.390 -30.529 9.851 1.00 13.33 N ATOM 1206 CA GLY A 620 -6.785 -31.688 9.218 1.00 22.03 C ATOM 1207 C GLY A 620 -6.619 -32.835 10.218 1.00 52.51 C ATOM 1208 O GLY A 620 -7.577 -33.547 10.515 1.00 1.11 O ATOM 0 H GLY A 620 -7.880 -30.727 10.724 1.00 13.33 H new ATOM 0 HA2 GLY A 620 -7.404 -32.016 8.383 1.00 22.03 H new ATOM 0 HA3 GLY A 620 -5.813 -31.416 8.806 1.00 22.03 H new ATOM 1212 N LEU A 621 -5.397 -32.977 10.709 1.00 61.10 N ATOM 1213 CA LEU A 621 -5.094 -34.025 11.669 1.00 44.11 C ATOM 1214 C LEU A 621 -3.801 -33.674 12.408 1.00 21.35 C ATOM 1215 O LEU A 621 -2.999 -32.879 11.921 1.00 21.03 O ATOM 1216 CB LEU A 621 -5.056 -35.390 10.978 1.00 12.34 C ATOM 1217 CG LEU A 621 -3.750 -35.746 10.266 1.00 3.51 C ATOM 1218 CD1 LEU A 621 -3.308 -34.616 9.334 1.00 54.24 C ATOM 1219 CD2 LEU A 621 -2.659 -36.116 11.274 1.00 74.15 C ATOM 0 H LEU A 621 -4.605 -32.384 10.460 1.00 61.10 H new ATOM 0 HA LEU A 621 -5.882 -34.095 12.419 1.00 44.11 H new ATOM 0 HB2 LEU A 621 -5.261 -36.158 11.724 1.00 12.34 H new ATOM 0 HB3 LEU A 621 -5.866 -35.429 10.249 1.00 12.34 H new ATOM 0 HG LEU A 621 -3.928 -36.625 9.646 1.00 3.51 H new ATOM 0 HD11 LEU A 621 -2.377 -34.895 8.840 1.00 54.24 H new ATOM 0 HD12 LEU A 621 -4.079 -34.441 8.583 1.00 54.24 H new ATOM 0 HD13 LEU A 621 -3.153 -33.706 9.914 1.00 54.24 H new ATOM 0 HD21 LEU A 621 -1.741 -36.365 10.742 1.00 74.15 H new ATOM 0 HD22 LEU A 621 -2.476 -35.271 11.938 1.00 74.15 H new ATOM 0 HD23 LEU A 621 -2.982 -36.976 11.861 1.00 74.15 H new ATOM 1231 N GLN A 622 -3.639 -34.285 13.573 1.00 1.00 N ATOM 1232 CA GLN A 622 -2.457 -34.047 14.385 1.00 73.33 C ATOM 1233 C GLN A 622 -1.382 -35.091 14.076 1.00 72.25 C ATOM 1234 O GLN A 622 -1.697 -36.238 13.763 1.00 75.22 O ATOM 1235 CB GLN A 622 -2.807 -34.045 15.874 1.00 3.22 C ATOM 1236 CG GLN A 622 -2.074 -32.919 16.607 1.00 20.44 C ATOM 1237 CD GLN A 622 -1.820 -33.292 18.069 1.00 24.14 C ATOM 1238 OE1 GLN A 622 -0.693 -33.363 18.532 1.00 62.22 O ATOM 1239 NE2 GLN A 622 -2.927 -33.525 18.769 1.00 63.33 N ATOM 0 H GLN A 622 -4.306 -34.944 13.974 1.00 1.00 H new ATOM 0 HA GLN A 622 -2.061 -33.062 14.137 1.00 73.33 H new ATOM 0 HB2 GLN A 622 -3.883 -33.925 15.998 1.00 3.22 H new ATOM 0 HB3 GLN A 622 -2.540 -35.005 16.315 1.00 3.22 H new ATOM 0 HG2 GLN A 622 -1.126 -32.714 16.110 1.00 20.44 H new ATOM 0 HG3 GLN A 622 -2.664 -32.004 16.559 1.00 20.44 H new ATOM 0 HE21 GLN A 622 -3.840 -33.448 18.320 1.00 63.33 H new ATOM 0 HE22 GLN A 622 -2.863 -33.780 19.754 1.00 63.33 H new ATOM 1248 N MET A 623 -0.135 -34.656 14.174 1.00 64.13 N ATOM 1249 CA MET A 623 0.989 -35.539 13.908 1.00 12.34 C ATOM 1250 C MET A 623 2.047 -35.424 15.007 1.00 24.21 C ATOM 1251 O MET A 623 2.335 -34.328 15.485 1.00 11.03 O ATOM 1252 CB MET A 623 1.613 -35.179 12.559 1.00 71.25 C ATOM 1253 CG MET A 623 0.557 -35.169 11.451 1.00 33.45 C ATOM 1254 SD MET A 623 1.290 -35.673 9.904 1.00 73.50 S ATOM 1255 CE MET A 623 1.229 -37.447 10.096 1.00 63.15 C ATOM 0 H MET A 623 0.123 -33.704 14.434 1.00 64.13 H new ATOM 0 HA MET A 623 0.624 -36.566 13.886 1.00 12.34 H new ATOM 0 HB2 MET A 623 2.087 -34.200 12.623 1.00 71.25 H new ATOM 0 HB3 MET A 623 2.396 -35.896 12.313 1.00 71.25 H new ATOM 0 HG2 MET A 623 -0.261 -35.841 11.711 1.00 33.45 H new ATOM 0 HG3 MET A 623 0.131 -34.171 11.353 1.00 33.45 H new ATOM 0 HE1 MET A 623 1.792 -37.920 9.291 1.00 63.15 H new ATOM 0 HE2 MET A 623 1.666 -37.724 11.055 1.00 63.15 H new ATOM 0 HE3 MET A 623 0.192 -37.782 10.059 1.00 63.15 H new ATOM 1265 N ILE A 624 2.598 -36.571 15.375 1.00 25.44 N ATOM 1266 CA ILE A 624 3.619 -36.614 16.409 1.00 50.31 C ATOM 1267 C ILE A 624 4.976 -36.913 15.768 1.00 53.41 C ATOM 1268 O ILE A 624 5.051 -37.632 14.773 1.00 23.33 O ATOM 1269 CB ILE A 624 3.227 -37.603 17.509 1.00 42.34 C ATOM 1270 CG1 ILE A 624 1.861 -37.251 18.101 1.00 0.11 C ATOM 1271 CG2 ILE A 624 4.313 -37.687 18.583 1.00 44.32 C ATOM 1272 CD1 ILE A 624 0.730 -37.856 17.268 1.00 73.23 C ATOM 0 H ILE A 624 2.357 -37.478 14.976 1.00 25.44 H new ATOM 0 HA ILE A 624 3.705 -35.645 16.900 1.00 50.31 H new ATOM 0 HB ILE A 624 3.139 -38.593 17.063 1.00 42.34 H new ATOM 0 HG12 ILE A 624 1.799 -37.618 19.125 1.00 0.11 H new ATOM 0 HG13 ILE A 624 1.747 -36.168 18.143 1.00 0.11 H new ATOM 0 HG21 ILE A 624 4.009 -38.397 19.353 1.00 44.32 H new ATOM 0 HG22 ILE A 624 5.247 -38.020 18.131 1.00 44.32 H new ATOM 0 HG23 ILE A 624 4.457 -36.704 19.032 1.00 44.32 H new ATOM 0 HD11 ILE A 624 -0.230 -37.591 17.711 1.00 73.23 H new ATOM 0 HD12 ILE A 624 0.780 -37.468 16.251 1.00 73.23 H new ATOM 0 HD13 ILE A 624 0.833 -38.941 17.248 1.00 73.23 H new ATOM 1284 N TYR A 625 6.014 -36.345 16.364 1.00 52.31 N ATOM 1285 CA TYR A 625 7.364 -36.541 15.864 1.00 72.35 C ATOM 1286 C TYR A 625 8.387 -36.453 16.998 1.00 61.05 C ATOM 1287 O TYR A 625 8.486 -35.428 17.671 1.00 63.34 O ATOM 1288 CB TYR A 625 7.617 -35.402 14.874 1.00 11.03 C ATOM 1289 CG TYR A 625 9.098 -35.088 14.653 1.00 52.23 C ATOM 1290 CD1 TYR A 625 9.906 -35.996 14.000 1.00 72.41 C ATOM 1291 CD2 TYR A 625 9.626 -33.896 15.106 1.00 53.32 C ATOM 1292 CE1 TYR A 625 11.300 -35.701 13.791 1.00 14.33 C ATOM 1293 CE2 TYR A 625 11.019 -33.600 14.897 1.00 25.13 C ATOM 1294 CZ TYR A 625 11.788 -34.517 14.250 1.00 34.14 C ATOM 1295 OH TYR A 625 13.104 -34.238 14.053 1.00 10.14 O ATOM 0 H TYR A 625 5.947 -35.749 17.189 1.00 52.31 H new ATOM 0 HA TYR A 625 7.464 -37.524 15.404 1.00 72.35 H new ATOM 0 HB2 TYR A 625 7.164 -35.659 13.917 1.00 11.03 H new ATOM 0 HB3 TYR A 625 7.115 -34.504 15.233 1.00 11.03 H new ATOM 0 HD1 TYR A 625 9.493 -36.929 13.645 1.00 72.41 H new ATOM 0 HD2 TYR A 625 8.994 -33.185 15.617 1.00 53.32 H new ATOM 0 HE1 TYR A 625 11.943 -36.403 13.282 1.00 14.33 H new ATOM 0 HE2 TYR A 625 11.444 -32.671 15.246 1.00 25.13 H new ATOM 0 HH TYR A 625 13.312 -33.359 14.432 1.00 10.14 H new ATOM 1305 N LYS A 626 9.122 -37.541 17.174 1.00 4.02 N ATOM 1306 CA LYS A 626 10.135 -37.599 18.215 1.00 34.31 C ATOM 1307 C LYS A 626 9.477 -37.353 19.574 1.00 31.04 C ATOM 1308 O LYS A 626 10.157 -37.035 20.549 1.00 41.04 O ATOM 1309 CB LYS A 626 11.281 -36.635 17.903 1.00 74.04 C ATOM 1310 CG LYS A 626 12.630 -37.356 17.941 1.00 53.11 C ATOM 1311 CD LYS A 626 12.993 -37.913 16.563 1.00 33.30 C ATOM 1312 CE LYS A 626 11.883 -38.822 16.029 1.00 2.43 C ATOM 1313 NZ LYS A 626 12.299 -39.455 14.758 1.00 30.52 N ATOM 0 H LYS A 626 9.037 -38.389 16.614 1.00 4.02 H new ATOM 0 HA LYS A 626 10.586 -38.591 18.253 1.00 34.31 H new ATOM 0 HB2 LYS A 626 11.130 -36.191 16.919 1.00 74.04 H new ATOM 0 HB3 LYS A 626 11.281 -35.818 18.625 1.00 74.04 H new ATOM 0 HG2 LYS A 626 13.406 -36.666 18.274 1.00 53.11 H new ATOM 0 HG3 LYS A 626 12.592 -38.168 18.667 1.00 53.11 H new ATOM 0 HD2 LYS A 626 13.161 -37.091 15.867 1.00 33.30 H new ATOM 0 HD3 LYS A 626 13.926 -38.472 16.627 1.00 33.30 H new ATOM 0 HE2 LYS A 626 11.648 -39.591 16.765 1.00 2.43 H new ATOM 0 HE3 LYS A 626 10.973 -38.242 15.873 1.00 2.43 H new ATOM 0 HZ1 LYS A 626 11.535 -40.068 14.409 1.00 30.52 H new ATOM 0 HZ2 LYS A 626 12.501 -38.718 14.053 1.00 30.52 H new ATOM 0 HZ3 LYS A 626 13.154 -40.025 14.918 1.00 30.52 H new ATOM 1326 N SER A 627 8.161 -37.509 19.596 1.00 24.34 N ATOM 1327 CA SER A 627 7.404 -37.308 20.820 1.00 2.21 C ATOM 1328 C SER A 627 7.038 -35.830 20.971 1.00 31.05 C ATOM 1329 O SER A 627 7.064 -35.290 22.076 1.00 21.34 O ATOM 1330 CB SER A 627 8.193 -37.787 22.041 1.00 55.13 C ATOM 1331 OG SER A 627 8.990 -36.748 22.603 1.00 72.13 O ATOM 0 H SER A 627 7.600 -37.772 18.786 1.00 24.34 H new ATOM 0 HA SER A 627 6.490 -37.898 20.758 1.00 2.21 H new ATOM 0 HB2 SER A 627 7.501 -38.162 22.795 1.00 55.13 H new ATOM 0 HB3 SER A 627 8.834 -38.621 21.754 1.00 55.13 H new ATOM 0 HG SER A 627 9.722 -36.529 21.989 1.00 72.13 H new ATOM 1337 N VAL A 628 6.705 -35.218 19.845 1.00 53.42 N ATOM 1338 CA VAL A 628 6.333 -33.813 19.838 1.00 4.22 C ATOM 1339 C VAL A 628 4.984 -33.650 19.137 1.00 55.24 C ATOM 1340 O VAL A 628 4.889 -33.808 17.921 1.00 72.55 O ATOM 1341 CB VAL A 628 7.445 -32.981 19.196 1.00 43.21 C ATOM 1342 CG1 VAL A 628 6.967 -31.556 18.908 1.00 63.31 C ATOM 1343 CG2 VAL A 628 8.699 -32.972 20.072 1.00 3.24 C ATOM 0 H VAL A 628 6.685 -35.669 18.930 1.00 53.42 H new ATOM 0 HA VAL A 628 6.216 -33.444 20.857 1.00 4.22 H new ATOM 0 HB VAL A 628 7.704 -33.446 18.245 1.00 43.21 H new ATOM 0 HG11 VAL A 628 7.776 -30.986 18.452 1.00 63.31 H new ATOM 0 HG12 VAL A 628 6.117 -31.588 18.226 1.00 63.31 H new ATOM 0 HG13 VAL A 628 6.667 -31.078 19.840 1.00 63.31 H new ATOM 0 HG21 VAL A 628 9.474 -32.374 19.592 1.00 3.24 H new ATOM 0 HG22 VAL A 628 8.460 -32.543 21.045 1.00 3.24 H new ATOM 0 HG23 VAL A 628 9.058 -33.993 20.203 1.00 3.24 H new ATOM 1353 N LYS A 629 3.973 -33.335 19.933 1.00 32.13 N ATOM 1354 CA LYS A 629 2.633 -33.149 19.404 1.00 15.10 C ATOM 1355 C LYS A 629 2.626 -31.949 18.454 1.00 21.52 C ATOM 1356 O LYS A 629 2.560 -30.803 18.896 1.00 22.51 O ATOM 1357 CB LYS A 629 1.617 -33.037 20.543 1.00 4.32 C ATOM 1358 CG LYS A 629 1.466 -34.371 21.277 1.00 65.04 C ATOM 1359 CD LYS A 629 0.405 -35.247 20.608 1.00 22.20 C ATOM 1360 CE LYS A 629 -0.995 -34.891 21.110 1.00 34.22 C ATOM 1361 NZ LYS A 629 -1.075 -35.051 22.579 1.00 34.34 N ATOM 0 H LYS A 629 4.055 -33.204 20.941 1.00 32.13 H new ATOM 0 HA LYS A 629 2.330 -34.019 18.822 1.00 15.10 H new ATOM 0 HB2 LYS A 629 1.936 -32.266 21.245 1.00 4.32 H new ATOM 0 HB3 LYS A 629 0.651 -32.726 20.144 1.00 4.32 H new ATOM 0 HG2 LYS A 629 2.422 -34.895 21.287 1.00 65.04 H new ATOM 0 HG3 LYS A 629 1.191 -34.190 22.316 1.00 65.04 H new ATOM 0 HD2 LYS A 629 0.451 -35.118 19.527 1.00 22.20 H new ATOM 0 HD3 LYS A 629 0.613 -36.297 20.813 1.00 22.20 H new ATOM 0 HE2 LYS A 629 -1.235 -33.864 20.837 1.00 34.22 H new ATOM 0 HE3 LYS A 629 -1.734 -35.531 20.628 1.00 34.22 H new ATOM 0 HZ1 LYS A 629 -2.050 -35.293 22.849 1.00 34.34 H new ATOM 0 HZ2 LYS A 629 -0.433 -35.812 22.881 1.00 34.34 H new ATOM 0 HZ3 LYS A 629 -0.799 -34.161 23.041 1.00 34.34 H new ATOM 1374 N LEU A 630 2.695 -32.254 17.167 1.00 63.43 N ATOM 1375 CA LEU A 630 2.698 -31.216 16.151 1.00 42.34 C ATOM 1376 C LEU A 630 1.473 -31.386 15.250 1.00 64.12 C ATOM 1377 O LEU A 630 1.384 -32.351 14.493 1.00 65.51 O ATOM 1378 CB LEU A 630 4.026 -31.214 15.390 1.00 73.11 C ATOM 1379 CG LEU A 630 5.287 -31.062 16.242 1.00 22.45 C ATOM 1380 CD1 LEU A 630 6.535 -31.461 15.452 1.00 74.53 C ATOM 1381 CD2 LEU A 630 5.398 -29.646 16.811 1.00 34.31 C ATOM 0 H LEU A 630 2.749 -33.206 16.804 1.00 63.43 H new ATOM 0 HA LEU A 630 2.620 -30.232 16.613 1.00 42.34 H new ATOM 0 HB2 LEU A 630 4.101 -32.145 14.828 1.00 73.11 H new ATOM 0 HB3 LEU A 630 4.004 -30.403 14.662 1.00 73.11 H new ATOM 0 HG LEU A 630 5.210 -31.744 17.089 1.00 22.45 H new ATOM 0 HD11 LEU A 630 7.417 -31.343 16.081 1.00 74.53 H new ATOM 0 HD12 LEU A 630 6.450 -32.501 15.138 1.00 74.53 H new ATOM 0 HD13 LEU A 630 6.629 -30.823 14.573 1.00 74.53 H new ATOM 0 HD21 LEU A 630 6.303 -29.566 17.413 1.00 34.31 H new ATOM 0 HD22 LEU A 630 5.441 -28.927 15.993 1.00 34.31 H new ATOM 0 HD23 LEU A 630 4.529 -29.435 17.434 1.00 34.31 H new ATOM 1393 N PRO A 631 0.535 -30.408 15.364 1.00 3.01 N ATOM 1394 CA PRO A 631 -0.680 -30.440 14.569 1.00 34.41 C ATOM 1395 C PRO A 631 -0.397 -30.047 13.118 1.00 72.12 C ATOM 1396 O PRO A 631 0.669 -29.515 12.812 1.00 55.42 O ATOM 1397 CB PRO A 631 -1.633 -29.485 15.268 1.00 13.23 C ATOM 1398 CG PRO A 631 -0.766 -28.605 16.154 1.00 40.34 C ATOM 1399 CD PRO A 631 0.607 -29.250 16.250 1.00 50.31 C ATOM 0 HA PRO A 631 -1.114 -31.438 14.504 1.00 34.41 H new ATOM 0 HB2 PRO A 631 -2.186 -28.886 14.545 1.00 13.23 H new ATOM 0 HB3 PRO A 631 -2.369 -30.030 15.859 1.00 13.23 H new ATOM 0 HG2 PRO A 631 -0.688 -27.601 15.736 1.00 40.34 H new ATOM 0 HG3 PRO A 631 -1.211 -28.504 17.144 1.00 40.34 H new ATOM 0 HD2 PRO A 631 1.391 -28.560 15.938 1.00 50.31 H new ATOM 0 HD3 PRO A 631 0.834 -29.548 17.274 1.00 50.31 H new ATOM 1407 N VAL A 632 -1.370 -30.325 12.262 1.00 12.35 N ATOM 1408 CA VAL A 632 -1.239 -30.006 10.851 1.00 71.42 C ATOM 1409 C VAL A 632 -2.499 -29.279 10.377 1.00 2.53 C ATOM 1410 O VAL A 632 -3.533 -29.904 10.148 1.00 65.41 O ATOM 1411 CB VAL A 632 -0.948 -31.279 10.052 1.00 11.23 C ATOM 1412 CG1 VAL A 632 -1.245 -31.073 8.566 1.00 73.13 C ATOM 1413 CG2 VAL A 632 0.495 -31.741 10.264 1.00 32.24 C ATOM 0 H VAL A 632 -2.252 -30.768 12.519 1.00 12.35 H new ATOM 0 HA VAL A 632 -0.396 -29.335 10.688 1.00 71.42 H new ATOM 0 HB VAL A 632 -1.609 -32.064 10.420 1.00 11.23 H new ATOM 0 HG11 VAL A 632 -1.030 -31.992 8.021 1.00 73.13 H new ATOM 0 HG12 VAL A 632 -2.296 -30.812 8.438 1.00 73.13 H new ATOM 0 HG13 VAL A 632 -0.621 -30.267 8.179 1.00 73.13 H new ATOM 0 HG21 VAL A 632 0.676 -32.647 9.685 1.00 32.24 H new ATOM 0 HG22 VAL A 632 1.179 -30.959 9.936 1.00 32.24 H new ATOM 0 HG23 VAL A 632 0.659 -31.947 11.322 1.00 32.24 H new ATOM 1423 N LEU A 633 -2.371 -27.966 10.245 1.00 20.41 N ATOM 1424 CA LEU A 633 -3.486 -27.147 9.803 1.00 13.42 C ATOM 1425 C LEU A 633 -3.288 -26.773 8.333 1.00 45.50 C ATOM 1426 O LEU A 633 -2.226 -27.022 7.763 1.00 34.22 O ATOM 1427 CB LEU A 633 -3.663 -25.939 10.726 1.00 22.45 C ATOM 1428 CG LEU A 633 -3.380 -26.183 12.210 1.00 1.23 C ATOM 1429 CD1 LEU A 633 -3.651 -27.640 12.588 1.00 34.23 C ATOM 1430 CD2 LEU A 633 -1.958 -25.751 12.575 1.00 31.34 C ATOM 0 H LEU A 633 -1.512 -27.450 10.437 1.00 20.41 H new ATOM 0 HA LEU A 633 -4.419 -27.708 9.867 1.00 13.42 H new ATOM 0 HB2 LEU A 633 -3.007 -25.141 10.378 1.00 22.45 H new ATOM 0 HB3 LEU A 633 -4.686 -25.577 10.626 1.00 22.45 H new ATOM 0 HG LEU A 633 -4.064 -25.567 12.794 1.00 1.23 H new ATOM 0 HD11 LEU A 633 -3.442 -27.786 13.648 1.00 34.23 H new ATOM 0 HD12 LEU A 633 -4.695 -27.880 12.388 1.00 34.23 H new ATOM 0 HD13 LEU A 633 -3.009 -28.294 11.998 1.00 34.23 H new ATOM 0 HD21 LEU A 633 -1.783 -25.935 13.635 1.00 31.34 H new ATOM 0 HD22 LEU A 633 -1.241 -26.322 11.984 1.00 31.34 H new ATOM 0 HD23 LEU A 633 -1.836 -24.688 12.366 1.00 31.34 H new ATOM 1442 N LYS A 634 -4.325 -26.180 7.761 1.00 52.12 N ATOM 1443 CA LYS A 634 -4.278 -25.769 6.368 1.00 40.11 C ATOM 1444 C LYS A 634 -3.969 -24.272 6.292 1.00 24.44 C ATOM 1445 O LYS A 634 -3.669 -23.645 7.307 1.00 43.00 O ATOM 1446 CB LYS A 634 -5.568 -26.167 5.648 1.00 62.33 C ATOM 1447 CG LYS A 634 -5.937 -27.621 5.949 1.00 71.33 C ATOM 1448 CD LYS A 634 -7.449 -27.779 6.118 1.00 34.04 C ATOM 1449 CE LYS A 634 -8.207 -26.914 5.110 1.00 55.33 C ATOM 1450 NZ LYS A 634 -9.534 -27.501 4.817 1.00 51.02 N ATOM 0 H LYS A 634 -5.203 -25.974 8.237 1.00 52.12 H new ATOM 0 HA LYS A 634 -3.475 -26.288 5.845 1.00 40.11 H new ATOM 0 HB2 LYS A 634 -6.380 -25.510 5.959 1.00 62.33 H new ATOM 0 HB3 LYS A 634 -5.445 -26.034 4.573 1.00 62.33 H new ATOM 0 HG2 LYS A 634 -5.589 -28.263 5.140 1.00 71.33 H new ATOM 0 HG3 LYS A 634 -5.430 -27.948 6.857 1.00 71.33 H new ATOM 0 HD2 LYS A 634 -7.726 -28.825 5.986 1.00 34.04 H new ATOM 0 HD3 LYS A 634 -7.736 -27.499 7.131 1.00 34.04 H new ATOM 0 HE2 LYS A 634 -8.328 -25.906 5.506 1.00 55.33 H new ATOM 0 HE3 LYS A 634 -7.630 -26.828 4.189 1.00 55.33 H new ATOM 0 HZ1 LYS A 634 -10.035 -26.901 4.131 1.00 51.02 H new ATOM 0 HZ2 LYS A 634 -9.412 -28.454 4.419 1.00 51.02 H new ATOM 0 HZ3 LYS A 634 -10.089 -27.561 5.695 1.00 51.02 H new ATOM 1463 N VAL A 635 -4.052 -23.744 5.080 1.00 0.13 N ATOM 1464 CA VAL A 635 -3.785 -22.333 4.859 1.00 4.12 C ATOM 1465 C VAL A 635 -5.094 -21.617 4.522 1.00 40.11 C ATOM 1466 O VAL A 635 -5.190 -20.397 4.651 1.00 62.42 O ATOM 1467 CB VAL A 635 -2.716 -22.166 3.777 1.00 71.12 C ATOM 1468 CG1 VAL A 635 -3.284 -22.485 2.392 1.00 3.03 C ATOM 1469 CG2 VAL A 635 -2.115 -20.760 3.812 1.00 5.24 C ATOM 0 H VAL A 635 -4.300 -24.268 4.241 1.00 0.13 H new ATOM 0 HA VAL A 635 -3.387 -21.873 5.764 1.00 4.12 H new ATOM 0 HB VAL A 635 -1.916 -22.877 3.984 1.00 71.12 H new ATOM 0 HG11 VAL A 635 -2.504 -22.359 1.641 1.00 3.03 H new ATOM 0 HG12 VAL A 635 -3.642 -23.514 2.374 1.00 3.03 H new ATOM 0 HG13 VAL A 635 -4.111 -21.809 2.173 1.00 3.03 H new ATOM 0 HG21 VAL A 635 -1.358 -20.668 3.033 1.00 5.24 H new ATOM 0 HG22 VAL A 635 -2.901 -20.024 3.643 1.00 5.24 H new ATOM 0 HG23 VAL A 635 -1.657 -20.584 4.785 1.00 5.24 H new ATOM 1479 N ARG A 636 -6.070 -22.406 4.097 1.00 41.54 N ATOM 1480 CA ARG A 636 -7.370 -21.862 3.740 1.00 65.21 C ATOM 1481 C ARG A 636 -8.245 -21.717 4.987 1.00 64.35 C ATOM 1482 O ARG A 636 -9.106 -20.841 5.046 1.00 22.13 O ATOM 1483 CB ARG A 636 -8.082 -22.760 2.726 1.00 13.33 C ATOM 1484 CG ARG A 636 -7.079 -23.618 1.954 1.00 71.54 C ATOM 1485 CD ARG A 636 -7.692 -24.141 0.653 1.00 40.45 C ATOM 1486 NE ARG A 636 -8.155 -25.534 0.835 1.00 70.32 N ATOM 1487 CZ ARG A 636 -8.676 -26.294 -0.152 1.00 65.22 C ATOM 1488 NH1 ARG A 636 -8.804 -25.800 -1.402 1.00 62.20 N ATOM 1489 NH2 ARG A 636 -9.057 -27.527 0.123 1.00 33.41 N ATOM 0 H ARG A 636 -5.987 -23.417 3.992 1.00 41.54 H new ATOM 0 HA ARG A 636 -7.208 -20.882 3.290 1.00 65.21 H new ATOM 0 HB2 ARG A 636 -8.795 -23.403 3.242 1.00 13.33 H new ATOM 0 HB3 ARG A 636 -8.653 -22.146 2.029 1.00 13.33 H new ATOM 0 HG2 ARG A 636 -6.189 -23.030 1.730 1.00 71.54 H new ATOM 0 HG3 ARG A 636 -6.760 -24.457 2.573 1.00 71.54 H new ATOM 0 HD2 ARG A 636 -8.527 -23.508 0.355 1.00 40.45 H new ATOM 0 HD3 ARG A 636 -6.956 -24.096 -0.149 1.00 40.45 H new ATOM 0 HE ARG A 636 -8.076 -25.946 1.765 1.00 70.32 H new ATOM 0 HH11 ARG A 636 -8.506 -24.846 -1.606 1.00 62.20 H new ATOM 0 HH12 ARG A 636 -9.199 -26.381 -2.142 1.00 62.20 H new ATOM 0 HH21 ARG A 636 -8.956 -27.893 1.070 1.00 33.41 H new ATOM 0 HH22 ARG A 636 -9.453 -28.114 -0.611 1.00 33.41 H new ATOM 1502 N SER A 637 -7.994 -22.590 5.951 1.00 3.03 N ATOM 1503 CA SER A 637 -8.748 -22.570 7.193 1.00 30.21 C ATOM 1504 C SER A 637 -8.085 -21.621 8.193 1.00 22.02 C ATOM 1505 O SER A 637 -8.652 -21.325 9.243 1.00 13.54 O ATOM 1506 CB SER A 637 -8.863 -23.974 7.790 1.00 71.20 C ATOM 1507 OG SER A 637 -10.015 -24.109 8.619 1.00 65.22 O ATOM 0 H SER A 637 -7.279 -23.316 5.897 1.00 3.03 H new ATOM 0 HA SER A 637 -9.755 -22.213 6.976 1.00 30.21 H new ATOM 0 HB2 SER A 637 -8.908 -24.708 6.985 1.00 71.20 H new ATOM 0 HB3 SER A 637 -7.969 -24.194 8.373 1.00 71.20 H new ATOM 0 HG SER A 637 -10.236 -25.058 8.719 1.00 65.22 H new ATOM 1513 N MET A 638 -6.892 -21.171 7.832 1.00 53.25 N ATOM 1514 CA MET A 638 -6.146 -20.261 8.684 1.00 63.30 C ATOM 1515 C MET A 638 -6.082 -18.862 8.069 1.00 3.43 C ATOM 1516 O MET A 638 -5.698 -18.705 6.911 1.00 20.31 O ATOM 1517 CB MET A 638 -4.726 -20.797 8.883 1.00 74.01 C ATOM 1518 CG MET A 638 -4.735 -22.072 9.729 1.00 12.20 C ATOM 1519 SD MET A 638 -5.130 -21.676 11.424 1.00 22.54 S ATOM 1520 CE MET A 638 -6.696 -22.518 11.583 1.00 62.34 C ATOM 0 H MET A 638 -6.424 -21.420 6.961 1.00 53.25 H new ATOM 0 HA MET A 638 -6.656 -20.192 9.645 1.00 63.30 H new ATOM 0 HB2 MET A 638 -4.272 -21.003 7.914 1.00 74.01 H new ATOM 0 HB3 MET A 638 -4.112 -20.039 9.368 1.00 74.01 H new ATOM 0 HG2 MET A 638 -5.465 -22.777 9.332 1.00 12.20 H new ATOM 0 HG3 MET A 638 -3.761 -22.559 9.678 1.00 12.20 H new ATOM 0 HE1 MET A 638 -7.301 -22.022 12.342 1.00 62.34 H new ATOM 0 HE2 MET A 638 -7.221 -22.494 10.628 1.00 62.34 H new ATOM 0 HE3 MET A 638 -6.524 -23.554 11.876 1.00 62.34 H new ATOM 1530 N LEU A 639 -6.464 -17.879 8.872 1.00 24.43 N ATOM 1531 CA LEU A 639 -6.454 -16.498 8.422 1.00 74.02 C ATOM 1532 C LEU A 639 -5.154 -15.829 8.870 1.00 43.41 C ATOM 1533 O LEU A 639 -4.588 -16.191 9.900 1.00 65.31 O ATOM 1534 CB LEU A 639 -7.715 -15.772 8.896 1.00 41.44 C ATOM 1535 CG LEU A 639 -7.598 -14.253 9.046 1.00 24.51 C ATOM 1536 CD1 LEU A 639 -7.249 -13.595 7.710 1.00 71.44 C ATOM 1537 CD2 LEU A 639 -8.868 -13.664 9.661 1.00 13.33 C ATOM 0 H LEU A 639 -6.782 -18.012 9.832 1.00 24.43 H new ATOM 0 HA LEU A 639 -6.477 -16.452 7.333 1.00 74.02 H new ATOM 0 HB2 LEU A 639 -8.520 -15.987 8.193 1.00 41.44 H new ATOM 0 HB3 LEU A 639 -8.011 -16.190 9.858 1.00 41.44 H new ATOM 0 HG LEU A 639 -6.779 -14.040 9.733 1.00 24.51 H new ATOM 0 HD11 LEU A 639 -7.172 -12.516 7.845 1.00 71.44 H new ATOM 0 HD12 LEU A 639 -6.297 -13.985 7.350 1.00 71.44 H new ATOM 0 HD13 LEU A 639 -8.029 -13.815 6.981 1.00 71.44 H new ATOM 0 HD21 LEU A 639 -8.759 -12.584 9.757 1.00 13.33 H new ATOM 0 HD22 LEU A 639 -9.720 -13.887 9.019 1.00 13.33 H new ATOM 0 HD23 LEU A 639 -9.032 -14.101 10.646 1.00 13.33 H new ATOM 1549 N LEU A 640 -4.718 -14.863 8.074 1.00 22.11 N ATOM 1550 CA LEU A 640 -3.494 -14.140 8.376 1.00 54.31 C ATOM 1551 C LEU A 640 -3.824 -12.664 8.610 1.00 31.13 C ATOM 1552 O LEU A 640 -4.003 -11.906 7.659 1.00 53.43 O ATOM 1553 CB LEU A 640 -2.451 -14.370 7.280 1.00 35.24 C ATOM 1554 CG LEU A 640 -2.297 -15.813 6.794 1.00 10.23 C ATOM 1555 CD1 LEU A 640 -1.459 -15.874 5.516 1.00 4.21 C ATOM 1556 CD2 LEU A 640 -1.725 -16.705 7.898 1.00 73.01 C ATOM 0 H LEU A 640 -5.190 -14.564 7.221 1.00 22.11 H new ATOM 0 HA LEU A 640 -3.046 -14.517 9.295 1.00 54.31 H new ATOM 0 HB2 LEU A 640 -2.707 -13.745 6.425 1.00 35.24 H new ATOM 0 HB3 LEU A 640 -1.484 -14.026 7.648 1.00 35.24 H new ATOM 0 HG LEU A 640 -3.287 -16.199 6.549 1.00 10.23 H new ATOM 0 HD11 LEU A 640 -1.365 -16.910 5.192 1.00 4.21 H new ATOM 0 HD12 LEU A 640 -1.946 -15.292 4.734 1.00 4.21 H new ATOM 0 HD13 LEU A 640 -0.468 -15.463 5.711 1.00 4.21 H new ATOM 0 HD21 LEU A 640 -1.626 -17.725 7.527 1.00 73.01 H new ATOM 0 HD22 LEU A 640 -0.746 -16.331 8.197 1.00 73.01 H new ATOM 0 HD23 LEU A 640 -2.395 -16.695 8.757 1.00 73.01 H new ATOM 1568 N GLU A 641 -3.894 -12.301 9.883 1.00 73.43 N ATOM 1569 CA GLU A 641 -4.199 -10.930 10.254 1.00 33.22 C ATOM 1570 C GLU A 641 -2.990 -10.029 9.997 1.00 50.11 C ATOM 1571 O GLU A 641 -1.879 -10.338 10.424 1.00 63.44 O ATOM 1572 CB GLU A 641 -4.646 -10.844 11.715 1.00 71.30 C ATOM 1573 CG GLU A 641 -6.151 -10.585 11.814 1.00 63.21 C ATOM 1574 CD GLU A 641 -6.573 -10.354 13.266 1.00 20.53 C ATOM 1575 OE1 GLU A 641 -7.769 -10.434 13.584 1.00 21.13 O ATOM 1576 OE2 GLU A 641 -5.608 -10.085 14.079 1.00 63.05 O ATOM 0 H GLU A 641 -3.745 -12.933 10.670 1.00 73.43 H new ATOM 0 HA GLU A 641 -5.025 -10.582 9.634 1.00 33.22 H new ATOM 0 HB2 GLU A 641 -4.399 -11.772 12.230 1.00 71.30 H new ATOM 0 HB3 GLU A 641 -4.102 -10.045 12.219 1.00 71.30 H new ATOM 0 HG2 GLU A 641 -6.414 -9.715 11.212 1.00 63.21 H new ATOM 0 HG3 GLU A 641 -6.698 -11.434 11.403 1.00 63.21 H new ATOM 1584 N THR A 642 -3.248 -8.932 9.300 1.00 5.32 N ATOM 1585 CA THR A 642 -2.194 -7.983 8.981 1.00 62.51 C ATOM 1586 C THR A 642 -2.693 -6.549 9.166 1.00 31.24 C ATOM 1587 O THR A 642 -3.898 -6.301 9.154 1.00 3.14 O ATOM 1588 CB THR A 642 -1.707 -8.278 7.561 1.00 63.41 C ATOM 1589 OG1 THR A 642 -2.700 -7.691 6.724 1.00 25.23 O ATOM 1590 CG2 THR A 642 -1.766 -9.769 7.219 1.00 4.33 C ATOM 0 H THR A 642 -4.171 -8.679 8.947 1.00 5.32 H new ATOM 0 HA THR A 642 -1.348 -8.089 9.660 1.00 62.51 H new ATOM 0 HB THR A 642 -0.684 -7.919 7.447 1.00 63.41 H new ATOM 0 HG1 THR A 642 -3.206 -8.398 6.271 1.00 25.23 H new ATOM 0 HG21 THR A 642 -1.410 -9.923 6.201 1.00 4.33 H new ATOM 0 HG22 THR A 642 -1.136 -10.326 7.912 1.00 4.33 H new ATOM 0 HG23 THR A 642 -2.795 -10.121 7.301 1.00 4.33 H new ATOM 1598 N PRO A 643 -1.716 -5.618 9.338 1.00 34.51 N ATOM 1599 CA PRO A 643 -2.044 -4.216 9.526 1.00 53.50 C ATOM 1600 C PRO A 643 -2.474 -3.571 8.206 1.00 32.43 C ATOM 1601 O PRO A 643 -3.099 -2.512 8.203 1.00 11.01 O ATOM 1602 CB PRO A 643 -0.787 -3.592 10.109 1.00 23.23 C ATOM 1603 CG PRO A 643 0.343 -4.560 9.794 1.00 14.34 C ATOM 1604 CD PRO A 643 -0.279 -5.876 9.358 1.00 75.10 C ATOM 0 HA PRO A 643 -2.893 -4.069 10.194 1.00 53.50 H new ATOM 0 HB2 PRO A 643 -0.597 -2.613 9.669 1.00 23.23 H new ATOM 0 HB3 PRO A 643 -0.887 -3.444 11.184 1.00 23.23 H new ATOM 0 HG2 PRO A 643 0.980 -4.159 9.006 1.00 14.34 H new ATOM 0 HG3 PRO A 643 0.974 -4.708 10.670 1.00 14.34 H new ATOM 0 HD2 PRO A 643 0.083 -6.179 8.375 1.00 75.10 H new ATOM 0 HD3 PRO A 643 -0.031 -6.680 10.051 1.00 75.10 H new ATOM 1612 N GLN A 644 -2.122 -4.238 7.117 1.00 72.40 N ATOM 1613 CA GLN A 644 -2.464 -3.744 5.794 1.00 61.31 C ATOM 1614 C GLN A 644 -3.808 -4.320 5.343 1.00 64.52 C ATOM 1615 O GLN A 644 -4.328 -3.943 4.294 1.00 30.40 O ATOM 1616 CB GLN A 644 -1.361 -4.071 4.785 1.00 10.20 C ATOM 1617 CG GLN A 644 0.009 -4.110 5.464 1.00 4.42 C ATOM 1618 CD GLN A 644 1.133 -4.181 4.428 1.00 10.21 C ATOM 1619 OE1 GLN A 644 1.433 -3.224 3.733 1.00 22.02 O ATOM 1620 NE2 GLN A 644 1.735 -5.365 4.364 1.00 42.13 N ATOM 0 H GLN A 644 -1.603 -5.116 7.124 1.00 72.40 H new ATOM 0 HA GLN A 644 -2.555 -2.659 5.845 1.00 61.31 H new ATOM 0 HB2 GLN A 644 -1.566 -5.033 4.316 1.00 10.20 H new ATOM 0 HB3 GLN A 644 -1.356 -3.324 3.991 1.00 10.20 H new ATOM 0 HG2 GLN A 644 0.137 -3.223 6.084 1.00 4.42 H new ATOM 0 HG3 GLN A 644 0.066 -4.973 6.127 1.00 4.42 H new ATOM 0 HE21 GLN A 644 1.434 -6.124 4.975 1.00 42.13 H new ATOM 0 HE22 GLN A 644 2.498 -5.514 3.704 1.00 42.13 H new ATOM 1629 N GLY A 645 -4.331 -5.225 6.158 1.00 40.25 N ATOM 1630 CA GLY A 645 -5.604 -5.857 5.855 1.00 11.34 C ATOM 1631 C GLY A 645 -5.472 -7.381 5.850 1.00 32.05 C ATOM 1632 O GLY A 645 -4.616 -7.931 5.160 1.00 60.32 O ATOM 0 H GLY A 645 -3.897 -5.535 7.027 1.00 40.25 H new ATOM 0 HA2 GLY A 645 -6.348 -5.555 6.592 1.00 11.34 H new ATOM 0 HA3 GLY A 645 -5.961 -5.516 4.883 1.00 11.34 H new ATOM 1636 N ARG A 646 -6.333 -8.020 6.629 1.00 71.01 N ATOM 1637 CA ARG A 646 -6.324 -9.470 6.723 1.00 65.01 C ATOM 1638 C ARG A 646 -6.133 -10.091 5.337 1.00 10.44 C ATOM 1639 O ARG A 646 -6.518 -9.499 4.330 1.00 12.01 O ATOM 1640 CB ARG A 646 -7.626 -9.991 7.333 1.00 54.13 C ATOM 1641 CG ARG A 646 -7.522 -10.079 8.857 1.00 42.13 C ATOM 1642 CD ARG A 646 -8.909 -10.157 9.498 1.00 62.01 C ATOM 1643 NE ARG A 646 -9.854 -10.830 8.579 1.00 21.12 N ATOM 1644 CZ ARG A 646 -10.644 -10.181 7.697 1.00 31.45 C ATOM 1645 NH1 ARG A 646 -10.609 -8.835 7.608 1.00 50.23 N ATOM 1646 NH2 ARG A 646 -11.452 -10.883 6.925 1.00 64.54 N ATOM 0 H ARG A 646 -7.041 -7.560 7.201 1.00 71.01 H new ATOM 0 HA ARG A 646 -5.494 -9.755 7.370 1.00 65.01 H new ATOM 0 HB2 ARG A 646 -8.449 -9.332 7.059 1.00 54.13 H new ATOM 0 HB3 ARG A 646 -7.855 -10.975 6.923 1.00 54.13 H new ATOM 0 HG2 ARG A 646 -6.939 -10.957 9.135 1.00 42.13 H new ATOM 0 HG3 ARG A 646 -6.989 -9.208 9.240 1.00 42.13 H new ATOM 0 HD2 ARG A 646 -8.853 -10.703 10.440 1.00 62.01 H new ATOM 0 HD3 ARG A 646 -9.268 -9.155 9.732 1.00 62.01 H new ATOM 0 HE ARG A 646 -9.912 -11.848 8.614 1.00 21.12 H new ATOM 0 HH11 ARG A 646 -9.983 -8.300 8.210 1.00 50.23 H new ATOM 0 HH12 ARG A 646 -11.209 -8.352 6.939 1.00 50.23 H new ATOM 0 HH21 ARG A 646 -11.473 -11.900 7.000 1.00 64.54 H new ATOM 0 HH22 ARG A 646 -12.055 -10.409 6.253 1.00 64.54 H new ATOM 1659 N ILE A 647 -5.539 -11.275 5.331 1.00 1.21 N ATOM 1660 CA ILE A 647 -5.293 -11.982 4.086 1.00 43.11 C ATOM 1661 C ILE A 647 -5.657 -13.458 4.262 1.00 43.52 C ATOM 1662 O ILE A 647 -5.340 -14.061 5.286 1.00 14.20 O ATOM 1663 CB ILE A 647 -3.854 -11.755 3.616 1.00 33.13 C ATOM 1664 CG1 ILE A 647 -3.610 -10.280 3.292 1.00 5.12 C ATOM 1665 CG2 ILE A 647 -3.513 -12.666 2.435 1.00 12.21 C ATOM 1666 CD1 ILE A 647 -2.191 -9.861 3.682 1.00 24.02 C ATOM 0 H ILE A 647 -5.221 -11.763 6.169 1.00 1.21 H new ATOM 0 HA ILE A 647 -5.929 -11.589 3.293 1.00 43.11 H new ATOM 0 HB ILE A 647 -3.182 -12.021 4.432 1.00 33.13 H new ATOM 0 HG12 ILE A 647 -3.764 -10.108 2.227 1.00 5.12 H new ATOM 0 HG13 ILE A 647 -4.334 -9.663 3.823 1.00 5.12 H new ATOM 0 HG21 ILE A 647 -2.485 -12.485 2.121 1.00 12.21 H new ATOM 0 HG22 ILE A 647 -3.622 -13.708 2.736 1.00 12.21 H new ATOM 0 HG23 ILE A 647 -4.189 -12.455 1.606 1.00 12.21 H new ATOM 0 HD11 ILE A 647 -2.043 -8.808 3.441 1.00 24.02 H new ATOM 0 HD12 ILE A 647 -2.048 -10.012 4.752 1.00 24.02 H new ATOM 0 HD13 ILE A 647 -1.469 -10.464 3.131 1.00 24.02 H new ATOM 1678 N GLN A 648 -6.317 -13.996 3.247 1.00 23.31 N ATOM 1679 CA GLN A 648 -6.727 -15.390 3.277 1.00 51.23 C ATOM 1680 C GLN A 648 -6.428 -16.060 1.934 1.00 22.03 C ATOM 1681 O GLN A 648 -7.041 -15.728 0.921 1.00 64.54 O ATOM 1682 CB GLN A 648 -8.209 -15.517 3.635 1.00 71.42 C ATOM 1683 CG GLN A 648 -8.460 -16.755 4.498 1.00 20.15 C ATOM 1684 CD GLN A 648 -7.914 -18.015 3.823 1.00 53.11 C ATOM 1685 OE1 GLN A 648 -6.728 -18.297 3.844 1.00 24.42 O ATOM 1686 NE2 GLN A 648 -8.844 -18.754 3.224 1.00 11.50 N ATOM 0 H GLN A 648 -6.578 -13.492 2.399 1.00 23.31 H new ATOM 0 HA GLN A 648 -6.154 -15.901 4.051 1.00 51.23 H new ATOM 0 HB2 GLN A 648 -8.536 -14.625 4.169 1.00 71.42 H new ATOM 0 HB3 GLN A 648 -8.803 -15.578 2.723 1.00 71.42 H new ATOM 0 HG2 GLN A 648 -7.987 -16.626 5.471 1.00 20.15 H new ATOM 0 HG3 GLN A 648 -9.529 -16.868 4.676 1.00 20.15 H new ATOM 0 HE21 GLN A 648 -9.820 -18.460 3.244 1.00 11.50 H new ATOM 0 HE22 GLN A 648 -8.581 -19.615 2.744 1.00 11.50 H new ATOM 1695 N ALA A 649 -5.485 -16.991 1.971 1.00 55.32 N ATOM 1696 CA ALA A 649 -5.097 -17.710 0.770 1.00 74.43 C ATOM 1697 C ALA A 649 -5.651 -19.135 0.833 1.00 25.51 C ATOM 1698 O ALA A 649 -6.265 -19.523 1.826 1.00 52.04 O ATOM 1699 CB ALA A 649 -3.574 -17.682 0.627 1.00 54.11 C ATOM 0 H ALA A 649 -4.979 -17.263 2.814 1.00 55.32 H new ATOM 0 HA ALA A 649 -5.516 -17.232 -0.116 1.00 74.43 H new ATOM 0 HB1 ALA A 649 -3.283 -18.222 -0.274 1.00 54.11 H new ATOM 0 HB2 ALA A 649 -3.234 -16.649 0.557 1.00 54.11 H new ATOM 0 HB3 ALA A 649 -3.118 -18.156 1.496 1.00 54.11 H new ATOM 1705 N LYS A 650 -5.412 -19.877 -0.239 1.00 12.22 N ATOM 1706 CA LYS A 650 -5.879 -21.251 -0.317 1.00 42.34 C ATOM 1707 C LYS A 650 -4.678 -22.197 -0.261 1.00 3.33 C ATOM 1708 O LYS A 650 -4.830 -23.382 0.029 1.00 30.41 O ATOM 1709 CB LYS A 650 -6.759 -21.448 -1.553 1.00 50.43 C ATOM 1710 CG LYS A 650 -7.914 -20.445 -1.569 1.00 54.31 C ATOM 1711 CD LYS A 650 -9.059 -20.941 -2.455 1.00 42.43 C ATOM 1712 CE LYS A 650 -9.834 -19.767 -3.057 1.00 70.05 C ATOM 1713 NZ LYS A 650 -10.727 -20.237 -4.140 1.00 52.10 N ATOM 0 H LYS A 650 -4.901 -19.553 -1.060 1.00 12.22 H new ATOM 0 HA LYS A 650 -6.512 -21.487 0.538 1.00 42.34 H new ATOM 0 HB2 LYS A 650 -6.158 -21.330 -2.454 1.00 50.43 H new ATOM 0 HB3 LYS A 650 -7.154 -22.464 -1.564 1.00 50.43 H new ATOM 0 HG2 LYS A 650 -8.277 -20.287 -0.554 1.00 54.31 H new ATOM 0 HG3 LYS A 650 -7.558 -19.481 -1.934 1.00 54.31 H new ATOM 0 HD2 LYS A 650 -8.661 -21.566 -3.254 1.00 42.43 H new ATOM 0 HD3 LYS A 650 -9.734 -21.564 -1.868 1.00 42.43 H new ATOM 0 HE2 LYS A 650 -10.421 -19.275 -2.281 1.00 70.05 H new ATOM 0 HE3 LYS A 650 -9.137 -19.026 -3.448 1.00 70.05 H new ATOM 0 HZ1 LYS A 650 -11.246 -19.428 -4.538 1.00 52.10 H new ATOM 0 HZ2 LYS A 650 -10.160 -20.686 -4.887 1.00 52.10 H new ATOM 0 HZ3 LYS A 650 -11.404 -20.927 -3.757 1.00 52.10 H new ATOM 1726 N LYS A 651 -3.510 -21.637 -0.542 1.00 53.11 N ATOM 1727 CA LYS A 651 -2.284 -22.416 -0.527 1.00 3.23 C ATOM 1728 C LYS A 651 -1.180 -21.608 0.159 1.00 51.22 C ATOM 1729 O LYS A 651 -1.104 -20.391 -0.005 1.00 21.12 O ATOM 1730 CB LYS A 651 -1.922 -22.874 -1.941 1.00 73.01 C ATOM 1731 CG LYS A 651 -3.013 -23.777 -2.520 1.00 71.14 C ATOM 1732 CD LYS A 651 -4.079 -22.953 -3.245 1.00 74.21 C ATOM 1733 CE LYS A 651 -3.726 -22.779 -4.723 1.00 54.45 C ATOM 1734 NZ LYS A 651 -4.257 -23.908 -5.520 1.00 4.12 N ATOM 0 H LYS A 651 -3.387 -20.653 -0.781 1.00 53.11 H new ATOM 0 HA LYS A 651 -2.420 -23.329 0.053 1.00 3.23 H new ATOM 0 HB2 LYS A 651 -1.784 -22.005 -2.585 1.00 73.01 H new ATOM 0 HB3 LYS A 651 -0.973 -23.410 -1.922 1.00 73.01 H new ATOM 0 HG2 LYS A 651 -2.569 -24.493 -3.212 1.00 71.14 H new ATOM 0 HG3 LYS A 651 -3.476 -24.353 -1.719 1.00 71.14 H new ATOM 0 HD2 LYS A 651 -5.048 -23.444 -3.154 1.00 74.21 H new ATOM 0 HD3 LYS A 651 -4.172 -21.975 -2.772 1.00 74.21 H new ATOM 0 HE2 LYS A 651 -4.137 -21.840 -5.093 1.00 54.45 H new ATOM 0 HE3 LYS A 651 -2.644 -22.721 -4.840 1.00 54.45 H new ATOM 0 HZ1 LYS A 651 -4.008 -23.774 -6.521 1.00 4.12 H new ATOM 0 HZ2 LYS A 651 -3.845 -24.799 -5.177 1.00 4.12 H new ATOM 0 HZ3 LYS A 651 -5.292 -23.945 -5.423 1.00 4.12 H new ATOM 1747 N TRP A 652 -0.352 -22.317 0.912 1.00 74.00 N ATOM 1748 CA TRP A 652 0.744 -21.681 1.623 1.00 54.00 C ATOM 1749 C TRP A 652 1.645 -21.001 0.591 1.00 42.31 C ATOM 1750 O TRP A 652 2.443 -20.130 0.936 1.00 60.40 O ATOM 1751 CB TRP A 652 1.491 -22.691 2.496 1.00 75.42 C ATOM 1752 CG TRP A 652 0.589 -23.473 3.453 1.00 31.31 C ATOM 1753 CD1 TRP A 652 -0.244 -24.483 3.163 1.00 5.42 C ATOM 1754 CD2 TRP A 652 0.462 -23.268 4.876 1.00 4.20 C ATOM 1755 NE1 TRP A 652 -0.895 -24.941 4.290 1.00 2.25 N ATOM 1756 CE2 TRP A 652 -0.452 -24.179 5.365 1.00 3.51 C ATOM 1757 CE3 TRP A 652 1.100 -22.343 5.722 1.00 55.22 C ATOM 1758 CZ2 TRP A 652 -0.811 -24.254 6.716 1.00 55.50 C ATOM 1759 CZ3 TRP A 652 0.729 -22.431 7.069 1.00 10.31 C ATOM 1760 CH2 TRP A 652 -0.190 -23.342 7.577 1.00 4.33 C ATOM 0 H TRP A 652 -0.418 -23.326 1.045 1.00 74.00 H new ATOM 0 HA TRP A 652 0.369 -20.923 2.311 1.00 54.00 H new ATOM 0 HB2 TRP A 652 2.016 -23.395 1.851 1.00 75.42 H new ATOM 0 HB3 TRP A 652 2.249 -22.164 3.076 1.00 75.42 H new ATOM 0 HD1 TRP A 652 -0.387 -24.887 2.172 1.00 5.42 H new ATOM 0 HE1 TRP A 652 -1.576 -25.699 4.327 1.00 2.25 H new ATOM 0 HE3 TRP A 652 1.819 -21.622 5.361 1.00 55.22 H new ATOM 0 HZ2 TRP A 652 -1.529 -24.977 7.075 1.00 55.50 H new ATOM 0 HZ3 TRP A 652 1.189 -21.743 7.762 1.00 10.31 H new ATOM 0 HH2 TRP A 652 -0.424 -23.346 8.631 1.00 4.33 H new ATOM 1771 N SER A 653 1.488 -21.423 -0.655 1.00 20.31 N ATOM 1772 CA SER A 653 2.278 -20.866 -1.740 1.00 11.34 C ATOM 1773 C SER A 653 1.977 -19.373 -1.892 1.00 63.45 C ATOM 1774 O SER A 653 2.702 -18.658 -2.582 1.00 51.15 O ATOM 1775 CB SER A 653 2.004 -21.600 -3.054 1.00 3.41 C ATOM 1776 OG SER A 653 2.731 -22.822 -3.144 1.00 45.12 O ATOM 0 H SER A 653 0.825 -22.145 -0.938 1.00 20.31 H new ATOM 0 HA SER A 653 3.333 -20.995 -1.497 1.00 11.34 H new ATOM 0 HB2 SER A 653 0.937 -21.806 -3.139 1.00 3.41 H new ATOM 0 HB3 SER A 653 2.272 -20.956 -3.892 1.00 3.41 H new ATOM 0 HG SER A 653 2.528 -23.262 -3.996 1.00 45.12 H new ATOM 1782 N ARG A 654 0.907 -18.948 -1.237 1.00 43.12 N ATOM 1783 CA ARG A 654 0.502 -17.554 -1.292 1.00 12.45 C ATOM 1784 C ARG A 654 0.801 -16.862 0.040 1.00 53.41 C ATOM 1785 O ARG A 654 0.975 -15.645 0.086 1.00 54.33 O ATOM 1786 CB ARG A 654 -0.991 -17.426 -1.601 1.00 12.11 C ATOM 1787 CG ARG A 654 -1.415 -18.424 -2.680 1.00 62.04 C ATOM 1788 CD ARG A 654 -0.556 -18.270 -3.937 1.00 42.21 C ATOM 1789 NE ARG A 654 -1.353 -18.601 -5.139 1.00 54.30 N ATOM 1790 CZ ARG A 654 -1.495 -19.849 -5.633 1.00 53.02 C ATOM 1791 NH1 ARG A 654 -0.893 -20.897 -5.031 1.00 50.45 N ATOM 1792 NH2 ARG A 654 -2.232 -20.030 -6.714 1.00 3.33 N ATOM 0 H ARG A 654 0.308 -19.544 -0.666 1.00 43.12 H new ATOM 0 HA ARG A 654 1.069 -17.075 -2.090 1.00 12.45 H new ATOM 0 HB2 ARG A 654 -1.570 -17.598 -0.694 1.00 12.11 H new ATOM 0 HB3 ARG A 654 -1.212 -16.411 -1.932 1.00 12.11 H new ATOM 0 HG2 ARG A 654 -1.325 -19.440 -2.296 1.00 62.04 H new ATOM 0 HG3 ARG A 654 -2.464 -18.270 -2.931 1.00 62.04 H new ATOM 0 HD2 ARG A 654 -0.182 -17.249 -4.009 1.00 42.21 H new ATOM 0 HD3 ARG A 654 0.313 -18.925 -3.876 1.00 42.21 H new ATOM 0 HE ARG A 654 -1.825 -17.838 -5.625 1.00 54.30 H new ATOM 0 HH11 ARG A 654 -0.326 -20.749 -4.196 1.00 50.45 H new ATOM 0 HH12 ARG A 654 -1.006 -21.837 -5.411 1.00 50.45 H new ATOM 0 HH21 ARG A 654 -2.684 -19.233 -7.163 1.00 3.33 H new ATOM 0 HH22 ARG A 654 -2.349 -20.967 -7.100 1.00 3.33 H new ATOM 1805 N VAL A 655 0.851 -17.667 1.091 1.00 44.04 N ATOM 1806 CA VAL A 655 1.126 -17.147 2.419 1.00 23.34 C ATOM 1807 C VAL A 655 2.237 -16.098 2.332 1.00 33.33 C ATOM 1808 O VAL A 655 3.314 -16.371 1.805 1.00 74.45 O ATOM 1809 CB VAL A 655 1.463 -18.297 3.372 1.00 41.35 C ATOM 1810 CG1 VAL A 655 2.391 -17.826 4.493 1.00 41.41 C ATOM 1811 CG2 VAL A 655 0.191 -18.927 3.941 1.00 32.31 C ATOM 0 H VAL A 655 0.706 -18.676 1.050 1.00 44.04 H new ATOM 0 HA VAL A 655 0.244 -16.653 2.826 1.00 23.34 H new ATOM 0 HB VAL A 655 1.989 -19.062 2.801 1.00 41.35 H new ATOM 0 HG11 VAL A 655 2.615 -18.662 5.156 1.00 41.41 H new ATOM 0 HG12 VAL A 655 3.318 -17.446 4.063 1.00 41.41 H new ATOM 0 HG13 VAL A 655 1.903 -17.034 5.061 1.00 41.41 H new ATOM 0 HG21 VAL A 655 0.458 -19.741 4.615 1.00 32.31 H new ATOM 0 HG22 VAL A 655 -0.375 -18.173 4.489 1.00 32.31 H new ATOM 0 HG23 VAL A 655 -0.418 -19.316 3.125 1.00 32.31 H new ATOM 1821 N PRO A 656 1.928 -14.889 2.872 1.00 3.32 N ATOM 1822 CA PRO A 656 2.888 -13.797 2.861 1.00 74.55 C ATOM 1823 C PRO A 656 3.986 -14.021 3.902 1.00 35.34 C ATOM 1824 O PRO A 656 5.171 -13.929 3.589 1.00 4.14 O ATOM 1825 CB PRO A 656 2.064 -12.547 3.124 1.00 24.23 C ATOM 1826 CG PRO A 656 0.757 -13.029 3.733 1.00 65.33 C ATOM 1827 CD PRO A 656 0.663 -14.529 3.506 1.00 70.24 C ATOM 0 HA PRO A 656 3.421 -13.714 1.914 1.00 74.55 H new ATOM 0 HB2 PRO A 656 2.585 -11.871 3.802 1.00 24.23 H new ATOM 0 HB3 PRO A 656 1.885 -11.996 2.201 1.00 24.23 H new ATOM 0 HG2 PRO A 656 0.725 -12.801 4.798 1.00 65.33 H new ATOM 0 HG3 PRO A 656 -0.090 -12.519 3.273 1.00 65.33 H new ATOM 0 HD2 PRO A 656 0.525 -15.064 4.446 1.00 70.24 H new ATOM 0 HD3 PRO A 656 -0.185 -14.781 2.869 1.00 70.24 H new ATOM 1835 N PHE A 657 3.551 -14.312 5.120 1.00 42.40 N ATOM 1836 CA PHE A 657 4.482 -14.550 6.210 1.00 43.42 C ATOM 1837 C PHE A 657 5.352 -15.777 5.930 1.00 43.44 C ATOM 1838 O PHE A 657 4.914 -16.714 5.265 1.00 33.55 O ATOM 1839 CB PHE A 657 3.646 -14.808 7.464 1.00 32.04 C ATOM 1840 CG PHE A 657 3.010 -16.199 7.513 1.00 25.10 C ATOM 1841 CD1 PHE A 657 3.730 -17.260 7.968 1.00 11.30 C ATOM 1842 CD2 PHE A 657 1.726 -16.375 7.101 1.00 2.12 C ATOM 1843 CE1 PHE A 657 3.140 -18.551 8.013 1.00 2.32 C ATOM 1844 CE2 PHE A 657 1.137 -17.666 7.146 1.00 14.24 C ATOM 1845 CZ PHE A 657 1.856 -18.727 7.601 1.00 10.54 C ATOM 0 H PHE A 657 2.566 -14.388 5.376 1.00 42.40 H new ATOM 0 HA PHE A 657 5.141 -13.690 6.330 1.00 43.42 H new ATOM 0 HB2 PHE A 657 4.278 -14.678 8.343 1.00 32.04 H new ATOM 0 HB3 PHE A 657 2.858 -14.057 7.524 1.00 32.04 H new ATOM 0 HD1 PHE A 657 4.750 -17.120 8.295 1.00 11.30 H new ATOM 0 HD2 PHE A 657 1.154 -15.533 6.740 1.00 2.12 H new ATOM 0 HE1 PHE A 657 3.711 -19.393 8.375 1.00 2.32 H new ATOM 0 HE2 PHE A 657 0.117 -17.806 6.819 1.00 14.24 H new ATOM 0 HZ PHE A 657 1.407 -19.709 7.635 1.00 10.54 H new ATOM 1855 N SER A 658 6.570 -15.730 6.450 1.00 71.41 N ATOM 1856 CA SER A 658 7.505 -16.827 6.264 1.00 4.41 C ATOM 1857 C SER A 658 7.254 -17.912 7.313 1.00 64.12 C ATOM 1858 O SER A 658 6.890 -17.611 8.448 1.00 13.12 O ATOM 1859 CB SER A 658 8.952 -16.336 6.344 1.00 1.42 C ATOM 1860 OG SER A 658 9.081 -14.982 5.918 1.00 51.13 O ATOM 0 H SER A 658 6.931 -14.950 7.000 1.00 71.41 H new ATOM 0 HA SER A 658 7.346 -17.247 5.271 1.00 4.41 H new ATOM 0 HB2 SER A 658 9.310 -16.429 7.369 1.00 1.42 H new ATOM 0 HB3 SER A 658 9.585 -16.972 5.726 1.00 1.42 H new ATOM 0 HG SER A 658 10.019 -14.706 5.986 1.00 51.13 H new ATOM 1866 N VAL A 659 7.460 -19.152 6.895 1.00 72.41 N ATOM 1867 CA VAL A 659 7.260 -20.284 7.784 1.00 64.42 C ATOM 1868 C VAL A 659 8.564 -21.078 7.892 1.00 72.43 C ATOM 1869 O VAL A 659 8.901 -21.849 6.995 1.00 64.23 O ATOM 1870 CB VAL A 659 6.083 -21.131 7.297 1.00 61.44 C ATOM 1871 CG1 VAL A 659 5.450 -21.907 8.453 1.00 20.24 C ATOM 1872 CG2 VAL A 659 5.043 -20.266 6.583 1.00 41.52 C ATOM 0 H VAL A 659 7.763 -19.398 5.953 1.00 72.41 H new ATOM 0 HA VAL A 659 7.003 -19.942 8.786 1.00 64.42 H new ATOM 0 HB VAL A 659 6.467 -21.855 6.578 1.00 61.44 H new ATOM 0 HG11 VAL A 659 4.616 -22.501 8.079 1.00 20.24 H new ATOM 0 HG12 VAL A 659 6.194 -22.567 8.899 1.00 20.24 H new ATOM 0 HG13 VAL A 659 5.088 -21.207 9.206 1.00 20.24 H new ATOM 0 HG21 VAL A 659 4.217 -20.893 6.247 1.00 41.52 H new ATOM 0 HG22 VAL A 659 4.667 -19.508 7.270 1.00 41.52 H new ATOM 0 HG23 VAL A 659 5.503 -19.780 5.723 1.00 41.52 H new ATOM 1882 N PRO A 660 9.279 -20.857 9.027 1.00 44.11 N ATOM 1883 CA PRO A 660 10.538 -21.543 9.264 1.00 43.33 C ATOM 1884 C PRO A 660 10.302 -23.003 9.656 1.00 1.51 C ATOM 1885 O PRO A 660 9.281 -23.330 10.259 1.00 40.40 O ATOM 1886 CB PRO A 660 11.225 -20.738 10.355 1.00 44.01 C ATOM 1887 CG PRO A 660 10.133 -19.910 11.012 1.00 4.24 C ATOM 1888 CD PRO A 660 8.910 -19.951 10.111 1.00 64.12 C ATOM 0 HA PRO A 660 11.163 -21.595 8.373 1.00 43.33 H new ATOM 0 HB2 PRO A 660 11.707 -21.394 11.080 1.00 44.01 H new ATOM 0 HB3 PRO A 660 12.003 -20.098 9.938 1.00 44.01 H new ATOM 0 HG2 PRO A 660 9.894 -20.308 11.998 1.00 4.24 H new ATOM 0 HG3 PRO A 660 10.467 -18.882 11.155 1.00 4.24 H new ATOM 0 HD2 PRO A 660 8.034 -20.313 10.649 1.00 64.12 H new ATOM 0 HD3 PRO A 660 8.664 -18.959 9.732 1.00 64.12 H new ATOM 1896 N ASP A 661 11.263 -23.841 9.298 1.00 24.12 N ATOM 1897 CA ASP A 661 11.173 -25.258 9.606 1.00 60.45 C ATOM 1898 C ASP A 661 11.116 -25.444 11.123 1.00 25.12 C ATOM 1899 O ASP A 661 11.742 -24.692 11.868 1.00 4.40 O ATOM 1900 CB ASP A 661 12.396 -26.015 9.082 1.00 54.51 C ATOM 1901 CG ASP A 661 13.745 -25.459 9.541 1.00 42.52 C ATOM 1902 OD1 ASP A 661 14.047 -24.272 9.345 1.00 51.11 O ATOM 1903 OD2 ASP A 661 14.514 -26.311 10.130 1.00 12.53 O ATOM 0 H ASP A 661 12.108 -23.566 8.797 1.00 24.12 H new ATOM 0 HA ASP A 661 10.275 -25.650 9.129 1.00 60.45 H new ATOM 0 HB2 ASP A 661 12.323 -27.056 9.397 1.00 54.51 H new ATOM 0 HB3 ASP A 661 12.369 -26.009 7.992 1.00 54.51 H new ATOM 1909 N PHE A 662 10.360 -26.451 11.536 1.00 4.32 N ATOM 1910 CA PHE A 662 10.214 -26.745 12.952 1.00 51.14 C ATOM 1911 C PHE A 662 11.573 -27.024 13.597 1.00 12.43 C ATOM 1912 O PHE A 662 12.186 -28.058 13.339 1.00 45.23 O ATOM 1913 CB PHE A 662 9.344 -27.999 13.060 1.00 3.01 C ATOM 1914 CG PHE A 662 9.341 -28.636 14.451 1.00 2.44 C ATOM 1915 CD1 PHE A 662 10.294 -29.547 14.784 1.00 2.14 C ATOM 1916 CD2 PHE A 662 8.385 -28.290 15.355 1.00 24.02 C ATOM 1917 CE1 PHE A 662 10.291 -30.138 16.076 1.00 43.33 C ATOM 1918 CE2 PHE A 662 8.383 -28.881 16.646 1.00 14.24 C ATOM 1919 CZ PHE A 662 9.336 -29.792 16.979 1.00 34.14 C ATOM 0 H PHE A 662 9.842 -27.073 10.915 1.00 4.32 H new ATOM 0 HA PHE A 662 9.767 -25.894 13.465 1.00 51.14 H new ATOM 0 HB2 PHE A 662 8.320 -27.743 12.786 1.00 3.01 H new ATOM 0 HB3 PHE A 662 9.693 -28.735 12.335 1.00 3.01 H new ATOM 0 HD1 PHE A 662 11.053 -29.821 14.066 1.00 2.14 H new ATOM 0 HD2 PHE A 662 7.628 -27.566 15.091 1.00 24.02 H new ATOM 0 HE1 PHE A 662 11.047 -30.862 16.341 1.00 43.33 H new ATOM 0 HE2 PHE A 662 7.624 -28.607 17.364 1.00 14.24 H new ATOM 0 HZ PHE A 662 9.334 -30.241 17.961 1.00 34.14 H new